N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide

C20H23N3O — CID 134032843

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-15(16-8-3-2-4-9-16)14-20(24)21-13-7-12-19-22-17-10-5-6-11-18(17)23-19/h2-6,8-11,15H,7,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyAMWHJRFDWILAFJ-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.81
Rot. Bonds7

About N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide

N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide (PubChem CID 134032843) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
PubChem CID134032843
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide
SMILESCC(CC(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H23N3O/c1-15(16-8-3-2-4-9-16)14-20(24)21-13-7-12-19-22-17-10-5-6-11-18(17)23-19/h2-6,8-11,15H,7,12-14H2,1H3,(H,21,24)(H,22,23)
InChIKeyAMWHJRFDWILAFJ-UHFFFAOYSA-N
XLogP3.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
3-(1H-benzimidazol-2-yl)-N-[(2R)-2-phenylpropyl]propanamide
CID 35955679
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
N-[5-(1H-benzimidazol-2-yl)pentyl]-2-methylprop-2-enamide
CID 18783633
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
3-(1H-benzimidazol-2-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 155949013
2-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669473
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide (CID 134032843) is N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide is CC(CC(=O)NCCCc1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide?
The InChIKey is AMWHJRFDWILAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15(16-8-3-2-4-9-16)14-20(24)21-13-7-12-19-22-17-10-5-6-11-18(17)23-19/h2-6,8-11,15H,7,12-14H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide has a molecular weight of 321.42 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-3-phenylbutanamide is sourced from PubChem (CID 134032843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).