4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

C24H22ClN3O — CID 4754980

IUPAC4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H22ClN3O/c1-17-6-8-18(9-7-17)16-28-22-5-3-2-4-21(22)27-23(28)14-15-26-24(29)19-10-12-20(25)13-11-19/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeyQVUPGDFUVURRCN-UHFFFAOYSA-N
MW403.91 g/mol
LogP5.02
Rot. Bonds6

About 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide

4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 4754980) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID4754980
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1
InChIInChI=1S/C24H22ClN3O/c1-17-6-8-18(9-7-17)16-28-22-5-3-2-4-21(22)27-23(28)14-15-26-24(29)19-10-12-20(25)13-11-19/h2-13H,14-16H2,1H3,(H,26,29)
InChIKeyQVUPGDFUVURRCN-UHFFFAOYSA-N
XLogP5.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[2-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976528
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
4-chloro-N-[2-[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 5066130
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-4-methylbenzamide
CID 16991895
4-bromo-N-[5-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991580
2-(2-chlorophenyl)-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979272
N-[2-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975738
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]butanamide
CID 4754944
4-chloro-N-[2-(1-prop-2-enylbenzimidazol-2-yl)ethyl]benzamide
CID 751332

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 4754980) is 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is QVUPGDFUVURRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c1-17-6-8-18(9-7-17)16-28-22-5-3-2-4-21(22)27-23(28)14-15-26-24(29)19-10-12-20(25)13-11-19/h2-13H,14-16H2,1H3,(H,26,29).
What are the key properties of 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 403.91 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 4754980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).