4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide

C31H31N3O — CID 16991902

IUPAC4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1
InChIInChI=1S/C31H31N3O/c1-23-17-19-25(20-18-23)31(35)32-21-8-2-3-16-30-33-28-14-6-7-15-29(28)34(30)22-26-12-9-11-24-10-4-5-13-27(24)26/h4-7,9-15,17-20H,2-3,8,16,21-22H2,1H3,(H,32,35)
InChIKeyHJHIKYYPMJXVJE-UHFFFAOYSA-N
MW461.61 g/mol
LogP6.69
Rot. Bonds9

About 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide

4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16991902) has the molecular formula C31H31N3O and a molecular weight of 461.61 g/mol. Its IUPAC name is 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16991902
Molecular FormulaC31H31N3O
Molecular Weight461.61 g/mol
Exact Mass461.25
IUPAC Name4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1
InChIInChI=1S/C31H31N3O/c1-23-17-19-25(20-18-23)31(35)32-21-8-2-3-16-30-33-28-14-6-7-15-29(28)34(30)22-26-12-9-11-24-10-4-5-13-27(24)26/h4-7,9-15,17-20H,2-3,8,16,21-22H2,1H3,(H,32,35)
InChIKeyHJHIKYYPMJXVJE-UHFFFAOYSA-N
XLogP6.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 56.69
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

N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277
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
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976708
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]propanamide
CID 16980695
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
4-fluoro-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991724

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide (CID 16991902) is 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is HJHIKYYPMJXVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O/c1-23-17-19-25(20-18-23)31(35)32-21-8-2-3-16-30-33-28-14-6-7-15-29(28)34(30)22-26-12-9-11-24-10-4-5-13-27(24)26/h4-7,9-15,17-20H,2-3,8,16,21-22H2,1H3,(H,32,35).
What are the key properties of 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide?
4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16991902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).