N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide

C13H17N3O — CID 2548246

IUPACN-(3-methylbutyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-9(2)5-6-14-13(17)10-3-4-11-12(7-10)16-8-15-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAUEXQPCHKRYUMR-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.34
Rot. Bonds4

About N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide

N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide (PubChem CID 2548246) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-3H-benzimidazole-5-carboxamide
PubChem CID2548246
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(3-methylbutyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)CCNC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H17N3O/c1-9(2)5-6-14-13(17)10-3-4-11-12(7-10)16-8-15-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyAUEXQPCHKRYUMR-UHFFFAOYSA-N
XLogP2.34
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide 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

Veliparib
CID 11960529
Aminomebendazole
CID 40320
Cyclobendazole
CID 35803
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
[1-(3-Methylphenyl)-5-benzimidazolyl]-(1-piperidinyl)methanone
CID 3243760
2-(1,3-dimethylpyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 25190749
6-Amino-3,7-dihydro-imidazo(4,5-G)quinazolin-8-one
CID 135483591
N-(1-ethylbenzimidazol-2-yl)benzamide
CID 872071
(R)-2-(2-methylpyrrolidin-2-yl)-1H-benzo(d)imidazole-4-carboxamide dihydrochloride
CID 45480520
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-nitrobenzamide
CID 682223
(1H-Benzimidazol-6-yl)(phenyl)methanone
CID 648179
N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide (CID 2548246) is N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide is CC(C)CCNC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is AUEXQPCHKRYUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9(2)5-6-14-13(17)10-3-4-11-12(7-10)16-8-15-11/h3-4,7-9H,5-6H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide?
N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 2548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).