N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide

C12H12N4O — CID 115174966

IUPACN-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H12N4O/c1-12(2,6-13)11(17)16-8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyMWUUIWSVZPKTHV-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.05
Rot. Bonds2

About N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide

N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide (PubChem CID 115174966) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide.

Molecular Properties

Compound NameN-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
PubChem CID115174966
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC NameN-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)Nc1ccc2nc[nH]c2c1
InChIInChI=1S/C12H12N4O/c1-12(2,6-13)11(17)16-8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,1-2H3,(H,14,15)(H,16,17)
InChIKeyMWUUIWSVZPKTHV-UHFFFAOYSA-N
XLogP2.05
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide 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

methyl 3-(3H-benzimidazol-5-ylamino)-2,2-dimethyl-3-oxopropanoate
CID 115174752
1-(3H-benzimidazol-5-yl)-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108885927
N-(3H-benzimidazol-5-yl)carbamoyl chloride
CID 115194411
3H-benzimidazol-5-ylcarbamothioic S-acid
CID 115169734
1-(3H-benzimidazol-5-yl)-3-(2,2-dimethylpropyl)urea
CID 110748284
N-(3H-benzimidazol-5-yl)prop-2-enamide
CID 4318258
1-amino-3-(3H-benzimidazol-5-yl)urea
CID 115192411
1-(3H-benzimidazol-5-yl)-3-(4-hydroxyphenyl)urea
CID 108885789
2-[(3H-benzimidazol-5-ylamino)methylidene]propanedinitrile
CID 14245677
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
N-(3H-benzimidazol-5-yl)-4-(methylamino)benzamide
CID 115161081
1-(3H-benzimidazol-5-yl)-3-(4-iodophenyl)urea
CID 108886002

Frequently Asked Questions

What is the IUPAC name of N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide?
The IUPAC name of N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide (CID 115174966) is N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide.
What is the SMILES notation for N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide?
The canonical SMILES for N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide is CC(C)(C#N)C(=O)Nc1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide?
The InChIKey is MWUUIWSVZPKTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-12(2,6-13)11(17)16-8-3-4-9-10(5-8)15-7-14-9/h3-5,7H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide?
N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide has a molecular weight of 228.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-benzimidazol-5-yl)-2-cyano-2-methylpropanamide is sourced from PubChem (CID 115174966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).