3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

C13H17N3O2 — CID 20961981

IUPAC3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NC(=O)CC(C)C
InChIInChI=1S/C13H17N3O2/c1-7(2)4-12(17)14-9-6-11-10(5-8(9)3)15-13(18)16-11/h5-7H,4H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyDMKAKCZRYKHEMX-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.15
Rot. Bonds3

About 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (PubChem CID 20961981) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
PubChem CID20961981
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide
SMILESCc1cc2[nH]c(=O)[nH]c2cc1NC(=O)CC(C)C
InChIInChI=1S/C13H17N3O2/c1-7(2)4-12(17)14-9-6-11-10(5-8(9)3)15-13(18)16-11/h5-7H,4H2,1-3H3,(H,14,17)(H2,15,16,18)
InChIKeyDMKAKCZRYKHEMX-UHFFFAOYSA-N
XLogP2.15
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)-4-propan-2-ylbenzamide
CID 110867247
N-(4-amino-2-methylphenyl)-3-methylbutanamide
CID 960629
N-(2-amino-4,5-dimethylphenyl)-3-methylbutanamide
CID 28691546
N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
N-(4-formyl-2-methylphenyl)-3-methylbutanamide
CID 143315991
2-[3-methyl-4-(3-methylbutanoylamino)phenoxy]acetic acid
CID 119231825
N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutanamide
CID 924685
N-[2,5-dimethyl-4-[(2-sulfanylacetyl)amino]phenyl]-2-sulfanylacetamide
CID 22182791
3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
CID 1121659
3-bromo-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 110867241
(2R)-2-[[3-methyl-4-(3-methylbutanoylamino)benzoyl]amino]propanoic acid
CID 119244295
[2,4-dimethyl-6-(3-methylbutanoylamino)phenyl] 3-methylbutanoate
CID 175346155

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide (CID 20961981) is 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is Cc1cc2[nH]c(=O)[nH]c2cc1NC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
The InChIKey is DMKAKCZRYKHEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7(2)4-12(17)14-9-6-11-10(5-8(9)3)15-13(18)16-11/h5-7H,4H2,1-3H3,(H,14,17)(H2,15,16,18).
What are the key properties of 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide?
3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide has a molecular weight of 247.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(6-methyl-2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide is sourced from PubChem (CID 20961981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).