C=COCCONC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(Br)cc1Cl
CAS: 606144-05-2
Name: 6-(4-bromo-2-chloroanilino)-N-(2-ethenoxyethoxy)-7-fluoro-3-methylbenzimidazole-5-carboxamide
SMILES: C=COCCONC(=O)c1cc2c(ncn2C)c(F)c1Nc1ccc(Br)cc1Cl

Molecular Processing

Molecular formula
C19H17BrClFN4O3
Molecular weight
483.73
Exact mass
482.0157
XLogP
4.69
TPSA
77.41
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
112.67

Supplementary Information

InChIKey: GNDKPEUWKWSUMP-UHFFFAOYSA-N
Synonyme
606144-05-25-((4-Bromo-2-chlorophenyl)amino)-4-fluoro-1-methyl-N-(2-(vinyloxy)ethoxy)-1H-benzo[d]imidazole-6-carboxamide5-(4-bromo-2-chlorophenylamino)-4-fluoro-1-methyl-N-(2-(vinyloxy)ethoxy)-1H-benzo[d]imidazole-6-carboxamide6-(4-bromo-2-chloroanilino)-N-(2-ethenoxyethoxy)-7-fluoro-3-methylbenzimidazole-5-carboxamide5-[(4-Bromo-2-chlorophenyl)amino]-N-[2-(ethenyloxy)ethoxy]-4-fluoro-1-methyl-1H-benzimidazole-6-carboxamideC19H17BrClFN4O3MFCD12032129Selumetinib Impurity 11SCHEMBL1040194SCHEMBL30746853DTXSID90743474GNDKPEUWKWSUMP-UHFFFAOYSA-NCS-M0260AKOS016005209CS-14232F7885705-(4-Bromo-2-chloroanilino)-N-[2-(ethenyloxy)ethoxy]-4-fluoro-1-methyl-1H-1,3-benzimidazole-6-carboxamide5-(4-Bromo-2-chloroanilino)-N-[2-(ethenyloxy)ethoxy]-4-fluoro-1-methyl-1H-benzimidazole-6-carboxamide6-(4-bromo-2-chloro-anilino)-7-fluoro-3-methyl-N-(2-vinyloxyethoxy)benzimidazole-5-carboxamide6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3-methyl-3H-benzoimidazole-5-carboxylic acid (2-vinyloxy-ethoxy)-amide
Quelle anzeigen →
An 26 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→