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

C22H18ClN3O — CID 4753051

IUPACN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H18ClN3O/c23-18-11-5-4-10-17(18)15-26-20-13-7-6-12-19(20)25-21(26)14-24-22(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27)
InChIKeyILEAEUHAYROCCJ-UHFFFAOYSA-N
MW375.86 g/mol
LogP4.67
Rot. Bonds5

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

N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 4753051) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID4753051
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESO=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C22H18ClN3O/c23-18-11-5-4-10-17(18)15-26-20-13-7-6-12-19(20)25-21(26)14-24-22(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27)
InChIKeyILEAEUHAYROCCJ-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]pyridine-4-carboxamide
CID 16965555
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006374
4-chloro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 5061788
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-chlorobenzamide
CID 3820061
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
(Z)-N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970778
N-[1-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754925
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964259
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008080

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 4753051) is N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide is O=C(NCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is ILEAEUHAYROCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c23-18-11-5-4-10-17(18)15-26-20-13-7-6-12-19(20)25-21(26)14-24-22(27)16-8-2-1-3-9-16/h1-13H,14-15H2,(H,24,27).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 375.86 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 4753051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).