2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide

C20H20N4O — CID 39148056

IUPAC2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
SMILESCCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H20N4O/c1-2-3-12-19-22-17-10-6-7-11-18(17)24(19)14-20(25)23-16-9-5-4-8-15(16)13-21/h4-11H,2-3,12,14H2,1H3,(H,23,25)
InChIKeyVJNZWFCMGKXXHW-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.89
Rot. Bonds6

About 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide

2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide (PubChem CID 39148056) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
PubChem CID39148056
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide
SMILESCCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C20H20N4O/c1-2-3-12-19-22-17-10-6-7-11-18(17)24(19)14-20(25)23-16-9-5-4-8-15(16)13-21/h4-11H,2-3,12,14H2,1H3,(H,23,25)
InChIKeyVJNZWFCMGKXXHW-UHFFFAOYSA-N
XLogP3.89
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanophenyl)-2-[2-(2-methylpropyl)benzimidazol-1-yl]acetamide
CID 39148117
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-(2-butylbenzimidazol-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 9107555
N-(3-cyanophenyl)-2-(2-propylbenzimidazol-1-yl)acetamide
CID 39148036
2-(2-ethylbenzimidazol-1-yl)-N-(2-ethylphenyl)acetamide
CID 4789521
2-methyl-N-[3-[1-[2-(2-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]benzamide
CID 17031446
2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 17030975
2-[2-[(2-butylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
CID 46784668
N-[3-[1-[2-(2,5-dimethylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]butanamide
CID 17031125
2-(2-ethylbenzimidazol-1-yl)-N-(2-methoxyphenyl)acetamide
CID 5023490
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346

Frequently Asked Questions

What is the IUPAC name of 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
The IUPAC name of 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide (CID 39148056) is 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide.
What is the SMILES notation for 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
The canonical SMILES for 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide is CCCCc1nc2ccccc2n1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
The InChIKey is VJNZWFCMGKXXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-3-12-19-22-17-10-6-7-11-18(17)24(19)14-20(25)23-16-9-5-4-8-15(16)13-21/h4-11H,2-3,12,14H2,1H3,(H,23,25).
What are the key properties of 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide?
2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide has a molecular weight of 332.41 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butylbenzimidazol-1-yl)-N-(2-cyanophenyl)acetamide is sourced from PubChem (CID 39148056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).