N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide

C20H20N4O — CID 39148117

IUPACN-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide
SMILESCC(C)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H20N4O/c1-14(2)11-19-22-17-9-5-6-10-18(17)24(19)13-20(25)23-16-8-4-3-7-15(16)12-21/h3-10,14H,11,13H2,1-2H3,(H,23,25)
InChIKeyGJWAZTBFFPHLCY-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.75
Rot. Bonds5

About N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide

N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide (PubChem CID 39148117) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide
PubChem CID39148117
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide
SMILESCC(C)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H20N4O/c1-14(2)11-19-22-17-9-5-6-10-18(17)24(19)13-20(25)23-16-8-4-3-7-15(16)12-21/h3-10,14H,11,13H2,1-2H3,(H,23,25)
InChIKeyGJWAZTBFFPHLCY-UHFFFAOYSA-N
XLogP3.75
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 39148056
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
2-(2-tert-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
CID 23008463
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 24514121
N-[2-[1-[2-(2-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylpropanamide
CID 17030325
N-(2-chlorophenyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
CID 4779873
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346
N-[[1-[2-(2-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]butanamide
CID 17028969
N-(2-methoxyphenyl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 17426644
(2R)-N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25352035

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide (CID 39148117) is N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide is CC(C)Cc1nc2ccccc2n1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide?
The InChIKey is GJWAZTBFFPHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14(2)11-19-22-17-9-5-6-10-18(17)24(19)13-20(25)23-16-8-4-3-7-15(16)12-21/h3-10,14H,11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide?
N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 39148117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).