1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one

C12H15N3O — CID 87845510

IUPAC1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1c(N)nc2ccccc21
InChIInChI=1S/C12H15N3O/c1-12(2,3)10(16)15-9-7-5-4-6-8(9)14-11(15)13/h4-7H,1-3H3,(H2,13,14)
InChIKeyYJRXPEMPTRAAMQ-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.30
Rot. Bonds

About 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one

1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 87845510) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
PubChem CID87845510
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)n1c(N)nc2ccccc21
InChIInChI=1S/C12H15N3O/c1-12(2,3)10(16)15-9-7-5-4-6-8(9)14-11(15)13/h4-7H,1-3H3,(H2,13,14)
InChIKeyYJRXPEMPTRAAMQ-UHFFFAOYSA-N
XLogP2.30
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-aminobenzimidazole-1-carboxylic acid
CID 20537592
2-amino-N-ethylbenzimidazole-1-carboxamide
CID 12526522
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CID 96582906
1-(2-aminobenzimidazol-1-yl)hexa-2,4-dien-1-one
CID 54137227
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112528084
(2-aminobenzimidazol-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 112528001
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
2-amino-N-(1H-benzimidazol-2-yl)benzimidazole-1-carboxamide
CID 159257765
1-(2-aminobenzimidazol-1-yl)-2-(4-aminotriazol-2-yl)ethanone
CID 112528013
1-(2-ethylbenzimidazol-1-yl)ethanone
CID 45078254

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one (CID 87845510) is 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)n1c(N)nc2ccccc21.
What is the InChIKey of 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is YJRXPEMPTRAAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-12(2,3)10(16)15-9-7-5-4-6-8(9)14-11(15)13/h4-7H,1-3H3,(H2,13,14).
What are the key properties of 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one?
1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobenzimidazol-1-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 87845510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).