2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide

C29H33N3O — CID 16989477

IUPAC2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C29H33N3O/c1-23-13-7-8-17-25(23)29(33)30-21-11-3-6-20-28-31-26-18-9-10-19-27(26)32(28)22-12-16-24-14-4-2-5-15-24/h2,4-5,7-10,13-15,17-19H,3,6,11-12,16,20-22H2,1H3,(H,30,33)
InChIKeyNPZRZSHYLWRBCO-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.12
Rot. Bonds11

About 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide

2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989477) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989477
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C29H33N3O/c1-23-13-7-8-17-25(23)29(33)30-21-11-3-6-20-28-31-26-18-9-10-19-27(26)32(28)22-12-16-24-14-4-2-5-15-24/h2,4-5,7-10,13-15,17-19H,3,6,11-12,16,20-22H2,1H3,(H,30,33)
InChIKeyNPZRZSHYLWRBCO-UHFFFAOYSA-N
XLogP6.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.12
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

2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989479
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
2-(2-methylphenyl)-N-[5-[1-(2-phenylethyl)benzimidazol-2-yl]pentyl]acetamide
CID 16993525
4-methoxy-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991259
N-[5-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-2-methylbenzamide
CID 16989465
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
4-methyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984294
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992231
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide (CID 16989477) is 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide is Cc1ccccc1C(=O)NCCCCCc1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is NPZRZSHYLWRBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-23-13-7-8-17-25(23)29(33)30-21-11-3-6-20-28-31-26-18-9-10-19-27(26)32(28)22-12-16-24-14-4-2-5-15-24/h2,4-5,7-10,13-15,17-19H,3,6,11-12,16,20-22H2,1H3,(H,30,33).
What are the key properties of 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide?
2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 439.60 g/mol, XLogP of 6.12, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[5-[1-(3-phenylpropyl)benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).