N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide

C19H16N4O2 — CID 71896665

IUPACN-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
SMILESN#CC(C(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N4O2/c20-11-14(19-22-15-8-4-5-9-16(15)23-19)17(24)12-21-18(25)10-13-6-2-1-3-7-13/h1-9,14H,10,12H2,(H,21,25)(H,22,23)
InChIKeyKVAGHMHHJJSLFP-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.10
Rot. Bonds6

About N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide

N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide (PubChem CID 71896665) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
PubChem CID71896665
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
SMILESN#CC(C(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C19H16N4O2/c20-11-14(19-22-15-8-4-5-9-16(15)23-19)17(24)12-21-18(25)10-13-6-2-1-3-7-13/h1-9,14H,10,12H2,(H,21,25)(H,22,23)
InChIKeyKVAGHMHHJJSLFP-UHFFFAOYSA-N
XLogP2.10
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile
CID 86977594
(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yl-3-oxobutanenitrile
CID 2376701
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide
CID 86981705
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252
(2R)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-3-oxopropanenitrile
CID 6928339
2-(1H-benzimidazol-2-yl)-4-[[5-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-3-oxobutanenitrile
CID 4829491
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-4-[(2R)-oxolan-2-yl]butanenitrile
CID 94189112
4-[[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]sulfanylmethyl]benzonitrile
CID 47052775
2-(1H-benzimidazol-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxobutanenitrile
CID 51079100
(2S)-2-(1H-benzimidazol-2-yl)-4-(3-fluoro-4-methoxyphenyl)-3-oxobutanenitrile
CID 94140155

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide (CID 71896665) is N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide is N#CC(C(=O)CNC(=O)Cc1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide?
The InChIKey is KVAGHMHHJJSLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c20-11-14(19-22-15-8-4-5-9-16(15)23-19)17(24)12-21-18(25)10-13-6-2-1-3-7-13/h1-9,14H,10,12H2,(H,21,25)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide?
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide has a molecular weight of 332.36 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide is sourced from PubChem (CID 71896665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).