4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide

C27H29N3O — CID 16984294

IUPAC4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCc2ccccc2)cc1
InChIInChI=1S/C27H29N3O/c1-21-15-17-23(18-16-21)27(31)28-19-7-14-26-29-24-12-5-6-13-25(24)30(26)20-8-11-22-9-3-2-4-10-22/h2-6,9-10,12-13,15-18H,7-8,11,14,19-20H2,1H3,(H,28,31)
InChIKeyQSELTJHPNRSLPX-UHFFFAOYSA-N
MW411.55 g/mol
LogP5.34
Rot. Bonds9

About 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide

4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (PubChem CID 16984294) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
PubChem CID16984294
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCc2ccccc2)cc1
InChIInChI=1S/C27H29N3O/c1-21-15-17-23(18-16-21)27(31)28-19-7-14-26-29-24-12-5-6-13-25(24)30(26)20-8-11-22-9-3-2-4-10-22/h2-6,9-10,12-13,15-18H,7-8,11,14,19-20H2,1H3,(H,28,31)
InChIKeyQSELTJHPNRSLPX-UHFFFAOYSA-N
XLogP5.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 55.34
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-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984758
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
4-methyl-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991935
4-methyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984323
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
3-bromo-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16983344

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide (CID 16984294) is 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2CCCc2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
The InChIKey is QSELTJHPNRSLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-21-15-17-23(18-16-21)27(31)28-19-7-14-26-29-24-12-5-6-13-25(24)30(26)20-8-11-22-9-3-2-4-10-22/h2-6,9-10,12-13,15-18H,7-8,11,14,19-20H2,1H3,(H,28,31).
What are the key properties of 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide?
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide has a molecular weight of 411.55 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16984294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).