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

C19H16N4O2 — CID 86981705

IUPACN-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide
SMILESCN(CC(=O)C(C#N)c1nc2ccccc2[nH]1)C(=O)c1ccccc1
InChIInChI=1S/C19H16N4O2/c1-23(19(25)13-7-3-2-4-8-13)12-17(24)14(11-20)18-21-15-9-5-6-10-16(15)22-18/h2-10,14H,12H2,1H3,(H,21,22)
InChIKeySNJPUBMBYBASDT-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.51
Rot. Bonds5

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

N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide (PubChem CID 86981705) 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]-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide
PubChem CID86981705
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide
SMILESCN(CC(=O)C(C#N)c1nc2ccccc2[nH]1)C(=O)c1ccccc1
InChIInChI=1S/C19H16N4O2/c1-23(19(25)13-7-3-2-4-8-13)12-17(24)14(11-20)18-21-15-9-5-6-10-16(15)22-18/h2-10,14H,12H2,1H3,(H,21,22)
InChIKeySNJPUBMBYBASDT-UHFFFAOYSA-N
XLogP2.51
TPSA89.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1H-benzimidazol-2-yl)-5,5-dimethyl-3-oxohexanenitrile
CID 51574329
2-(1H-benzimidazol-2-yl)-3-oxo-4-phenoxybutanenitrile
CID 4157814
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-2-phenylacetamide
CID 71896665
(2S)-2-(1H-benzimidazol-2-yl)-5-(2-methoxyphenoxy)-3-oxopentanenitrile
CID 40633292
(2S)-2-(1H-benzimidazol-2-yl)-4-naphthalen-1-yl-3-oxobutanenitrile
CID 2376701
2-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)-3-oxobutanenitrile
CID 86977594
2-(1H-benzimidazol-2-yl)-4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-oxobutanenitrile
CID 51079100
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
N-[2-[3-(1H-benzimidazol-2-yl)propylamino]-2-oxoethyl]-N-methylbenzamide
CID 55566777
(2R)-2-(1H-benzimidazol-2-yl)-3-oxo-4-[(2R)-oxolan-2-yl]butanenitrile
CID 94189112
4-[(2R)-2-(1H-benzimidazol-2-yl)-2-cyanoacetyl]-N,N-diethylbenzenesulfonamide
CID 2331571

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide (CID 86981705) is N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide is CN(CC(=O)C(C#N)c1nc2ccccc2[nH]1)C(=O)c1ccccc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide?
The InChIKey is SNJPUBMBYBASDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-23(19(25)13-7-3-2-4-8-13)12-17(24)14(11-20)18-21-15-9-5-6-10-16(15)22-18/h2-10,14H,12H2,1H3,(H,21,22).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide?
N-[3-(1H-benzimidazol-2-yl)-3-cyano-2-oxopropyl]-N-methylbenzamide has a molecular weight of 332.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 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]-N-methylbenzamide is sourced from PubChem (CID 86981705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).