Nom: methyl 2-[(1-propan-2-ylpiperidin-4-yl)carbamoyl]-3H-benzimidazole-5-carboxylate
SMILES:
CC(C)N1CCC(CC1)NC(=O)C2=NC3=C(N2)C=C(C=C3)C(=O)OCMolecular Processing
Molecular formula
C18H24N4O3
Molecular weight
344.42
Exact mass
344.1848
XLogP
1.95
TPSA
87.32
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
94.63
Supplementary Information
InChIKey: UBKFZLZMHJIIRG-UHFFFAOYSA-N
Synonymes
SCHEMBL3368040UBKFZLZMHJIIRG-UHFFFAOYSA-N2-(1-Isopropyl-piperidin-4-ylcarbamoyl)-1H-benzoimidazole-5-carboxylic acid methyl ester
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