N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide

C25H24ClN3O — CID 16984277

IUPACN-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O/c1-18-12-14-19(15-13-18)25(30)27-16-6-11-24-28-22-9-4-5-10-23(22)29(24)17-20-7-2-3-8-21(20)26/h2-5,7-10,12-15H,6,11,16-17H2,1H3,(H,27,30)
InChIKeyYGJRVPJBYCSXND-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.41
Rot. Bonds7

About N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide

N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide (PubChem CID 16984277) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
PubChem CID16984277
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC NameN-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2Cl)cc1
InChIInChI=1S/C25H24ClN3O/c1-18-12-14-19(15-13-18)25(30)27-16-6-11-24-28-22-9-4-5-10-23(22)29(24)17-20-7-2-3-8-21(20)26/h2-5,7-10,12-15H,6,11,16-17H2,1H3,(H,27,30)
InChIKeyYGJRVPJBYCSXND-UHFFFAOYSA-N
XLogP5.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 4630378
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991902
4-chloro-N-[3-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984581
N-[2-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977299
4-chloro-N-[2-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 4754980
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]butanamide
CID 4754809
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976532
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The IUPAC name of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide (CID 16984277) is N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide.
What is the SMILES notation for N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The canonical SMILES for N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2Cl)cc1.
What is the InChIKey of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
The InChIKey is YGJRVPJBYCSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-18-12-14-19(15-13-18)25(30)27-16-6-11-24-28-22-9-4-5-10-23(22)29(24)17-20-7-2-3-8-21(20)26/h2-5,7-10,12-15H,6,11,16-17H2,1H3,(H,27,30).
What are the key properties of N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide?
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide has a molecular weight of 417.94 g/mol, XLogP of 5.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide is sourced from PubChem (CID 16984277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).