N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C23H20ClN3O — CID 4754925

IUPACN-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H20ClN3O/c1-16(25-23(28)17-9-3-2-4-10-17)22-26-20-13-7-8-14-21(20)27(22)15-18-11-5-6-12-19(18)24/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyARJGNKBANRTYGF-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.23
Rot. Bonds5

About N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 4754925) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound NameN-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID4754925
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC NameN-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl
InChIInChI=1S/C23H20ClN3O/c1-16(25-23(28)17-9-3-2-4-10-17)22-26-20-13-7-8-14-21(20)27(22)15-18-11-5-6-12-19(18)24/h2-14,16H,15H2,1H3,(H,25,28)
InChIKeyARJGNKBANRTYGF-UHFFFAOYSA-N
XLogP5.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 4754932
N-[(1S)-1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 40910160
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010116
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 42100737
N-[1-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967343
N-[(1S)-1-(1-benzylbenzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 7007721
4-chloro-N-[1-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009483
N-[(1S)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-(diethylsulfamoyl)benzamide
CID 40595516
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 5400747
N-[1-(1-benzylbenzimidazol-2-yl)ethyl]-4-bromobenzamide
CID 17009321
N-[(1R)-1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]formamide
CID 7366614
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 4753051

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 4754925) is N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is CC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1Cl.
What is the InChIKey of N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is ARJGNKBANRTYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-16(25-23(28)17-9-3-2-4-10-17)22-26-20-13-7-8-14-21(20)27(22)15-18-11-5-6-12-19(18)24/h2-14,16H,15H2,1H3,(H,25,28).
What are the key properties of N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 389.89 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 4754925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).