ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate

C24H21ClN2O2 — CID 18680791

IUPACethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C24H21ClN2O2/c1-2-29-24(28)18-12-13-21-22(15-18)27(16-19-10-6-7-11-20(19)25)23(26-21)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3
InChIKeyYINAQLPJIXFTFE-UHFFFAOYSA-N
MW404.90 g/mol
LogP5.51
Rot. Bonds6

About ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate

ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate (PubChem CID 18680791) has the molecular formula C24H21ClN2O2 and a molecular weight of 404.90 g/mol. Its IUPAC name is ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
PubChem CID18680791
Molecular FormulaC24H21ClN2O2
Molecular Weight404.90 g/mol
Exact Mass404.13
IUPAC Nameethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccccc3Cl)c2c1
InChIInChI=1S/C24H21ClN2O2/c1-2-29-24(28)18-12-13-21-22(15-18)27(16-19-10-6-7-11-20(19)25)23(26-21)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3
InChIKeyYINAQLPJIXFTFE-UHFFFAOYSA-N
XLogP5.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.90
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-benzyl-3-[(2,4-dichlorophenyl)methyl]benzimidazole-5-carboxylate
CID 18315443
ethyl 3-benzyl-2-methylbenzimidazole-5-carboxylate
CID 18681119
ethyl 1-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18680819
ethyl 3-[(2-chloro-4-ethylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508820
2-butyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxamide;hydrochloride
CID 139615644
ethyl 3-[(2,6-dichlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18681136
ethyl 3-[(2-chloro-4-methoxycarbonylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467652
ethyl 2-methyl-3-[(2-phenylphenyl)methyl]benzimidazole-5-carboxylate
CID 18681064
ethyl 3-[[2-chloro-4-[phenyl(phenylmethoxy)methyl]phenyl]methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467655
1-[2-butyl-3-[(2-chlorophenyl)methyl]benzimidazol-5-yl]-2-methylpropan-1-one
CID 18315589
2-butyl-3-[(2-chlorophenyl)methyl]-N,N-dimethylbenzimidazole-5-carboxamide
CID 18315518
[3-[(2-chlorophenyl)methyl]-2-propylbenzimidazol-5-yl]-piperidin-1-ylmethanone
CID 18315440

Frequently Asked Questions

What is the IUPAC name of ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate?
The IUPAC name of ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate (CID 18680791) is ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate is CCOC(=O)c1ccc2nc(Cc3ccccc3)n(Cc3ccccc3Cl)c2c1.
What is the InChIKey of ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate?
The InChIKey is YINAQLPJIXFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O2/c1-2-29-24(28)18-12-13-21-22(15-18)27(16-19-10-6-7-11-20(19)25)23(26-21)14-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3.
What are the key properties of ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate?
ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate has a molecular weight of 404.90 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-benzyl-3-[(2-chlorophenyl)methyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 18680791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).