N-butyl-N-methylbenzimidazole-1-carboxamide

C13H17N3O — CID 170699007

IUPACN-butyl-N-methylbenzimidazole-1-carboxamide
SMILESCCCCN(C)C(=O)n1cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-3-4-9-15(2)13(17)16-10-14-11-7-5-6-8-12(11)16/h5-8,10H,3-4,9H2,1-2H3
InChIKeyOWOHHLHLERYORD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.74
Rot. Bonds3

About N-butyl-N-methylbenzimidazole-1-carboxamide

N-butyl-N-methylbenzimidazole-1-carboxamide (PubChem CID 170699007) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-butyl-N-methylbenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methylbenzimidazole-1-carboxamide
PubChem CID170699007
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-butyl-N-methylbenzimidazole-1-carboxamide
SMILESCCCCN(C)C(=O)n1cnc2ccccc21
InChIInChI=1S/C13H17N3O/c1-3-4-9-15(2)13(17)16-10-14-11-7-5-6-8-12(11)16/h5-8,10H,3-4,9H2,1-2H3
InChIKeyOWOHHLHLERYORD-UHFFFAOYSA-N
XLogP2.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(benzimidazol-1-yl)-N-butyl-N-methylpropanamide
CID 39115835
N,N-bis(2-methylpropyl)benzimidazole-1-carboxamide
CID 170698971
N-(3-aminopropyl)-2-(benzimidazol-1-yl)-N-methylacetamide
CID 43253838
N,N-bis(3-ethylphenyl)benzimidazole-1-carboxamide
CID 170699029
1-(benzimidazol-1-yl)-2-(methylamino)ethanone
CID 110460341
N-butyl-2-(2-ethylbenzimidazol-1-yl)-N-methylacetamide
CID 16996476
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
CID 71618995
[methoxy(methyl)carbamoyl] benzimidazole-1-carboxylate
CID 154321828
benzimidazol-1-yl-(3-bromo-4-butoxyphenyl)methanone
CID 4955702
N-butyl-N-methyl-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17000570
1-(benzimidazol-1-yl)-2-[[2-(benzimidazol-1-yl)-2-oxoethyl]sulfanylmethylsulfanyl]ethanone
CID 3845970
bromomethyl benzimidazole-1-carboxylate
CID 135347541

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylbenzimidazole-1-carboxamide?
The IUPAC name of N-butyl-N-methylbenzimidazole-1-carboxamide (CID 170699007) is N-butyl-N-methylbenzimidazole-1-carboxamide.
What is the SMILES notation for N-butyl-N-methylbenzimidazole-1-carboxamide?
The canonical SMILES for N-butyl-N-methylbenzimidazole-1-carboxamide is CCCCN(C)C(=O)n1cnc2ccccc21.
What is the InChIKey of N-butyl-N-methylbenzimidazole-1-carboxamide?
The InChIKey is OWOHHLHLERYORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-4-9-15(2)13(17)16-10-14-11-7-5-6-8-12(11)16/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of N-butyl-N-methylbenzimidazole-1-carboxamide?
N-butyl-N-methylbenzimidazole-1-carboxamide has a molecular weight of 231.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylbenzimidazole-1-carboxamide is sourced from PubChem (CID 170699007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).