1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one

C12H15N3O — CID 115234497

IUPAC1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C12H15N3O/c1-8(16)7-13-10-4-5-12-11(6-10)14-9(2)15(12)3/h4-6,13H,7H2,1-3H3
InChIKeyRYCSKBKFRWIBKC-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.88
Rot. Bonds3

About 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one

1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one (PubChem CID 115234497) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one.

Molecular Properties

Compound Name1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
PubChem CID115234497
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
SMILESCC(=O)CNc1ccc2c(c1)nc(C)n2C
InChIInChI=1S/C12H15N3O/c1-8(16)7-13-10-4-5-12-11(6-10)14-9(2)15(12)3/h4-6,13H,7H2,1-3H3
InChIKeyRYCSKBKFRWIBKC-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]acetate
CID 115232706
3-[(1,2-dimethylbenzimidazol-5-yl)amino]-2,2-dimethylpropanoic acid
CID 115136437
N-(chloromethyl)-1,2-dimethylbenzimidazol-5-amine
CID 115262747
3-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-1-ol
CID 115216675
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
1-N-(1,2-dimethylbenzimidazol-5-yl)propane-1,2-diamine
CID 115196322
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
methyl 2-[(1,2-dimethylbenzimidazol-5-yl)amino]-2-methylpropanoate
CID 115128288
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 115172919

Frequently Asked Questions

What is the IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one?
The IUPAC name of 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one (CID 115234497) is 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one.
What is the SMILES notation for 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one?
The canonical SMILES for 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one is CC(=O)CNc1ccc2c(c1)nc(C)n2C.
What is the InChIKey of 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one?
The InChIKey is RYCSKBKFRWIBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(16)7-13-10-4-5-12-11(6-10)14-9(2)15(12)3/h4-6,13H,7H2,1-3H3.
What are the key properties of 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one?
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one is sourced from PubChem (CID 115234497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).