N-(1,2-dimethylbenzimidazol-5-yl)butanamide

C13H17N3O — CID 965373

IUPACN-(1,2-dimethylbenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C13H17N3O/c1-4-5-13(17)15-10-6-7-12-11(8-10)14-9(2)16(12)3/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyRQLNQWOQBFWHHJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.62
Rot. Bonds3

About N-(1,2-dimethylbenzimidazol-5-yl)butanamide

N-(1,2-dimethylbenzimidazol-5-yl)butanamide (PubChem CID 965373) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-(1,2-dimethylbenzimidazol-5-yl)butanamide.

Molecular Properties

Compound NameN-(1,2-dimethylbenzimidazol-5-yl)butanamide
PubChem CID965373
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-(1,2-dimethylbenzimidazol-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C13H17N3O/c1-4-5-13(17)15-10-6-7-12-11(8-10)14-9(2)16(12)3/h6-8H,4-5H2,1-3H3,(H,15,17)
InChIKeyRQLNQWOQBFWHHJ-UHFFFAOYSA-N
XLogP2.62
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
N-[2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1-methylbenzimidazol-5-yl]butanamide
CID 17218644
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
N-[1-methyl-2-(2-piperidin-1-ylethyl)benzimidazol-5-yl]butanamide
CID 4889006
N-[2-amino-1-(3-amino-3-oxopropyl)benzimidazol-5-yl]butanamide
CID 123952258
N-(2-methyl-1-propylbenzimidazol-5-yl)-3-pyridin-4-ylpropanamide
CID 131927243
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
N-(1,2-dimethylbenzimidazol-5-yl)-2,4-dimethylfuran-3-carboxamide
CID 112527535

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)butanamide?
The IUPAC name of N-(1,2-dimethylbenzimidazol-5-yl)butanamide (CID 965373) is N-(1,2-dimethylbenzimidazol-5-yl)butanamide.
What is the SMILES notation for N-(1,2-dimethylbenzimidazol-5-yl)butanamide?
The canonical SMILES for N-(1,2-dimethylbenzimidazol-5-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of N-(1,2-dimethylbenzimidazol-5-yl)butanamide?
The InChIKey is RQLNQWOQBFWHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-4-5-13(17)15-10-6-7-12-11(8-10)14-9(2)16(12)3/h6-8H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-(1,2-dimethylbenzimidazol-5-yl)butanamide?
N-(1,2-dimethylbenzimidazol-5-yl)butanamide has a molecular weight of 231.30 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylbenzimidazol-5-yl)butanamide is sourced from PubChem (CID 965373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).