N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide

C20H23N3O — CID 51277131

IUPACN-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-16-6-4-7-17(14-16)10-11-20(24)21-12-5-13-23-15-22-18-8-2-3-9-19(18)23/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,21,24)
InChIKeyVWRZGDHWUOLNLI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.48
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide

N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide (PubChem CID 51277131) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
PubChem CID51277131
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCCCn2cnc3ccccc32)c1
InChIInChI=1S/C20H23N3O/c1-16-6-4-7-17(14-16)10-11-20(24)21-12-5-13-23-15-22-18-8-2-3-9-19(18)23/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,21,24)
InChIKeyVWRZGDHWUOLNLI-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.48
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

3-(benzimidazol-1-yl)-N-[(3-methylphenyl)methyl]propanamide
CID 34166297
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylphenyl)-4-oxobutanamide
CID 51221928
N-[2-[3-(benzimidazol-1-yl)propylamino]-2-oxoethyl]-3-methylbenzamide
CID 51221897
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 24553388
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[3-(benzimidazol-1-yl)propyl]propanamide
CID 24553342
N-(6-iodohexyl)-3-(3-methylphenyl)propanamide
CID 107848481
N-[2-(benzimidazol-1-yl)ethyl]butanamide
CID 47404733
N-(4-hydroxybutyl)-3-(3-methylphenyl)propanamide
CID 106843245
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535
N-[3-(benzimidazol-1-yl)propyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 51222002

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide (CID 51277131) is N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCCCn2cnc3ccccc32)c1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide?
The InChIKey is VWRZGDHWUOLNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-16-6-4-7-17(14-16)10-11-20(24)21-12-5-13-23-15-22-18-8-2-3-9-19(18)23/h2-4,6-9,14-15H,5,10-13H2,1H3,(H,21,24).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide?
N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 51277131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).