3-(2-aminobenzimidazol-1-yl)butan-2-one

C11H13N3O — CID 82358956

IUPAC3-(2-aminobenzimidazol-1-yl)butan-2-one
SMILESCC(=O)C(C)n1c(N)nc2ccccc21
InChIInChI=1S/C11H13N3O/c1-7(8(2)15)14-10-6-4-3-5-9(10)13-11(14)12/h3-7H,1-2H3,(H2,12,13)
InChIKeyZUVLIPLMQOWNMK-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.77
Rot. Bonds2

About 3-(2-aminobenzimidazol-1-yl)butan-2-one

3-(2-aminobenzimidazol-1-yl)butan-2-one (PubChem CID 82358956) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 3-(2-aminobenzimidazol-1-yl)butan-2-one.

Molecular Properties

Compound Name3-(2-aminobenzimidazol-1-yl)butan-2-one
PubChem CID82358956
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name3-(2-aminobenzimidazol-1-yl)butan-2-one
SMILESCC(=O)C(C)n1c(N)nc2ccccc21
InChIInChI=1S/C11H13N3O/c1-7(8(2)15)14-10-6-4-3-5-9(10)13-11(14)12/h3-7H,1-2H3,(H2,12,13)
InChIKeyZUVLIPLMQOWNMK-UHFFFAOYSA-N
XLogP1.77
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
CID 17000493
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
3-[2-(furan-2-yl)benzimidazol-1-yl]butan-2-one
CID 17000250
1-(1-methylsulfonylpropan-2-yl)benzimidazol-2-amine
CID 64643418
methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
3-(2-amino-5,6,7,8-tetrahydrobenzo[f]benzimidazol-3-yl)butan-2-one
CID 82359245
N-[[1-(3-oxobutan-2-yl)benzimidazol-2-yl]methyl]prop-2-enamide
CID 16972351
3-[2-(naphthalen-2-yloxymethyl)benzimidazol-1-yl]butan-2-one
CID 16999333
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
CID 87845510
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobenzimidazol-1-yl)butan-2-one?
The IUPAC name of 3-(2-aminobenzimidazol-1-yl)butan-2-one (CID 82358956) is 3-(2-aminobenzimidazol-1-yl)butan-2-one.
What is the SMILES notation for 3-(2-aminobenzimidazol-1-yl)butan-2-one?
The canonical SMILES for 3-(2-aminobenzimidazol-1-yl)butan-2-one is CC(=O)C(C)n1c(N)nc2ccccc21.
What is the InChIKey of 3-(2-aminobenzimidazol-1-yl)butan-2-one?
The InChIKey is ZUVLIPLMQOWNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-7(8(2)15)14-10-6-4-3-5-9(10)13-11(14)12/h3-7H,1-2H3,(H2,12,13).
What are the key properties of 3-(2-aminobenzimidazol-1-yl)butan-2-one?
3-(2-aminobenzimidazol-1-yl)butan-2-one has a molecular weight of 203.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobenzimidazol-1-yl)butan-2-one is sourced from PubChem (CID 82358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).