N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide

C20H21N3O2 — CID 95175043

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
SMILESCC[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N3O2/c1-2-15(20-22-16-10-6-7-11-17(16)23-20)21-19(25)13-12-18(24)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,21,25)(H,22,23)/t15-/m0/s1
InChIKeyATKZVGOGANIENT-HNNXBMFYSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds7

About N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide

N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide (PubChem CID 95175043) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
PubChem CID95175043
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide
SMILESCC[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H21N3O2/c1-2-15(20-22-16-10-6-7-11-17(16)23-20)21-19(25)13-12-18(24)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,21,25)(H,22,23)/t15-/m0/s1
InChIKeyATKZVGOGANIENT-HNNXBMFYSA-N
XLogP3.79
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-3-(1H-benzimidazol-2-yl)propanoic acid
CID 142267067
(2R)-2-amino-N-[1-(1H-benzimidazol-2-yl)propyl]propanamide;dihydrochloride
CID 119871657
N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]hexanamide
CID 46603847
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874
N-[1-(1H-benzimidazol-2-yl)-3-methylbutyl]-4-(methylamino)butanamide
CID 119836758
3-acetamido-N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide
CID 4878970
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]butanamide
CID 47100277
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[(1S)-4-amino-1-(1H-benzimidazol-2-yl)butyl]benzamide
CID 166563053

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide (CID 95175043) is N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide is CC[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide?
The InChIKey is ATKZVGOGANIENT-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-15(20-22-16-10-6-7-11-17(16)23-20)21-19(25)13-12-18(24)14-8-4-3-5-9-14/h3-11,15H,2,12-13H2,1H3,(H,21,25)(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide has a molecular weight of 335.41 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)propyl]-4-oxo-4-phenylbutanamide is sourced from PubChem (CID 95175043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).