CCOC(=O)C1=C(NC(=N1)C2=CC=CC3=CC=CC=C32)C
CAS: 115835-55-7
Name: ethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate
SMILES: CCOC(=O)C1=C(NC(=N1)C2=CC=CC3=CC=CC=C32)C

Molecular Processing

Molecular formula
C17H16N2O2
Molecular weight
280.33
Exact mass
280.1212
XLogP
3.72
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
82.22

Supplementary Information

InChIKey: BULJPUNWEGWHTE-UHFFFAOYSA-N
Synonyme
115835-55-7Ethyl 4-methyl-2-(naphthalen-1-yl)-1H-imidazole-5-carboxylateethyl 5-methyl-2-naphthalen-1-yl-1H-imidazole-4-carboxylate5-methyl-2-naphthalen-1-yl-3H-imidazole-4-carboxylic acid ethyl esterBULJPUNWEGWHTE-UHFFFAOYSA-NSCHEMBL3404125DTXSID50695384ETHYL 5-METHYL-2-(NAPHTHALEN-1-YL)-1H-IMIDAZOLE-4-CARBOXYLATEMFCD08276115AKOS011655949SY341384DB-0607535-methyl-2-(1-naphthalenyl)-1H-imidazole-4-carboxylic acid, ethyl ester
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