N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide

C24H23N3O — CID 43889826

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C24H23N3O/c1-2-19(17-11-5-3-6-12-17)24(28)27-22(18-13-7-4-8-14-18)23-25-20-15-9-10-16-21(20)26-23/h3-16,19,22H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyJSFNGSDGDLMDGU-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.96
Rot. Bonds6

About N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide

N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide (PubChem CID 43889826) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
PubChem CID43889826
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide
SMILESCCC(C(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C24H23N3O/c1-2-19(17-11-5-3-6-12-17)24(28)27-22(18-13-7-4-8-14-18)23-25-20-15-9-10-16-21(20)26-23/h3-16,19,22H,2H2,1H3,(H,25,26)(H,27,28)
InChIKeyJSFNGSDGDLMDGU-UHFFFAOYSA-N
XLogP4.96
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylbutanamide
CID 51425732
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-fluorobenzamide
CID 43889813
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]furan-2-carboxamide
CID 30157732
N-[1-(6-nitro-1H-benzimidazol-2-yl)ethyl]-2-phenylbutanamide
CID 43890089
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-methylbutanamide
CID 47141201
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-methoxybenzamide
CID 43889810
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085

Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide (CID 43889826) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide is CCC(C(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide?
The InChIKey is JSFNGSDGDLMDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-2-19(17-11-5-3-6-12-17)24(28)27-22(18-13-7-4-8-14-18)23-25-20-15-9-10-16-21(20)26-23/h3-16,19,22H,2H2,1H3,(H,25,26)(H,27,28).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide has a molecular weight of 369.47 g/mol, XLogP of 4.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-2-phenylbutanamide is sourced from PubChem (CID 43889826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).