4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one

C12H15BrN2O — CID 117209127

IUPAC4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
SMILESCC(C)(C)Cn1c(=O)[nH]c2cccc(Br)c21
InChIInChI=1S/C12H15BrN2O/c1-12(2,3)7-15-10-8(13)5-4-6-9(10)14-11(15)16/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeyKAPOMDSIJLPOEL-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.14
Rot. Bonds1

About 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one

4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one (PubChem CID 117209127) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
PubChem CID117209127
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one
SMILESCC(C)(C)Cn1c(=O)[nH]c2cccc(Br)c21
InChIInChI=1S/C12H15BrN2O/c1-12(2,3)7-15-10-8(13)5-4-6-9(10)14-11(15)16/h4-6H,7H2,1-3H3,(H,14,16)
InChIKeyKAPOMDSIJLPOEL-UHFFFAOYSA-N
XLogP3.14
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-dimethylpropyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209111
4-bromo-3-(2-methylpropyl)-1H-benzimidazol-2-one
CID 117209124
2-(7-bromo-2-oxo-3H-benzimidazol-1-yl)acetic acid
CID 84809231
4-bromo-3-[(1-methylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117208626
3-(2,2-dimethylpropyl)-5-fluoro-1H-quinazoline-2,4-dione
CID 117261046
3-acetyl-4-bromo-1H-benzimidazol-2-one
CID 18449361
3-(2,2-dimethylpropyl)-7-methyl-1H-benzimidazol-2-one
CID 117206757
3-(3-amino-2,2-dimethyl-3-oxopropyl)-2-oxo-1H-benzimidazole-4-carboxylic acid
CID 106277630
4-bromo-3-cyclopropyl-1H-benzimidazol-2-one
CID 83843837
4-(2,2-dimethylpropyl)-2,3-dioxo-1H-quinoxaline-5-carboxylic acid
CID 115931540
3-(2,2-dimethylpropyl)-6-hydroxy-1H-quinazoline-2,4-dione
CID 117261338
3-(2,2-dimethylpropyl)-6-fluoro-1H-quinazoline-2,4-dione
CID 117261331

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
The IUPAC name of 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one (CID 117209127) is 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one is CC(C)(C)Cn1c(=O)[nH]c2cccc(Br)c21.
What is the InChIKey of 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
The InChIKey is KAPOMDSIJLPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-12(2,3)7-15-10-8(13)5-4-6-9(10)14-11(15)16/h4-6H,7H2,1-3H3,(H,14,16).
What are the key properties of 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one?
4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one has a molecular weight of 283.17 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(2,2-dimethylpropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117209127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).