2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide

C20H23N3O — CID 16982503

IUPAC2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2C)c(C)c1
InChIInChI=1S/C20H23N3O/c1-14-10-11-16(15(2)13-14)20(24)21-12-6-9-19-22-17-7-4-5-8-18(17)23(19)3/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,24)
InChIKeyOTVZVGDKKXNSPH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.55
Rot. Bonds5

About 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide

2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 16982503) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
PubChem CID16982503
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2C)c(C)c1
InChIInChI=1S/C20H23N3O/c1-14-10-11-16(15(2)13-14)20(24)21-12-6-9-19-22-17-7-4-5-8-18(17)23(19)3/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,24)
InChIKeyOTVZVGDKKXNSPH-UHFFFAOYSA-N
XLogP3.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.55
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-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16982511
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982530
2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989618
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide (CID 16982503) is 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is OTVZVGDKKXNSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-10-11-16(15(2)13-14)20(24)21-12-6-9-19-22-17-7-4-5-8-18(17)23(19)3/h4-5,7-8,10-11,13H,6,9,12H2,1-3H3,(H,21,24).
What are the key properties of 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide?
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 321.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 16982503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).