4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole

C12H13BrN2O — CID 176942429

IUPAC4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole
SMILESCc1ccc(Br)c2ncn(CC3CCO3)c12
InChIInChI=1S/C12H13BrN2O/c1-8-2-3-10(13)11-12(8)15(7-14-11)6-9-4-5-16-9/h2-3,7,9H,4-6H2,1H3
InChIKeyAWZUTFHTHWXDQH-UHFFFAOYSA-N
MW281.15 g/mol
LogP2.90
Rot. Bonds2

About 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole

4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole (PubChem CID 176942429) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole.

Molecular Properties

Compound Name4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole
PubChem CID176942429
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole
SMILESCc1ccc(Br)c2ncn(CC3CCO3)c12
InChIInChI=1S/C12H13BrN2O/c1-8-2-3-10(13)11-12(8)15(7-14-11)6-9-4-5-16-9/h2-3,7,9H,4-6H2,1H3
InChIKeyAWZUTFHTHWXDQH-UHFFFAOYSA-N
XLogP2.90
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole 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

6-methyl-3-(oxolan-2-ylmethyl)pyrimidin-4-one
CID 126857529
5-fluoro-3-[[(2S)-oxetan-2-yl]methyl]imidazole-4-carbaldehyde
CID 175965351
1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione
CID 18775675
4-bromo-1-(oxetan-2-ylmethyl)pyrrolo[3,2-c]pyridine;ethane;thiohypoiodous acid
CID 153376848
2-methyl-5-[4-[5-methyl-1-(oxan-2-ylmethyl)imidazol-4-yl]phenyl]pyridine
CID 164857267
7-[2-(dimethylamino)ethoxy]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 170650541
6-bromo-2-(1-chloroethyl)-7-fluoro-1-[[(2S)-oxetan-2-yl]methyl]benzimidazole
CID 175910441
7-ethynyl-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylic acid
CID 175894977
7-(1-methylpyrrolidin-3-yl)oxy-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid
CID 170650546
9-(oxolan-2-ylmethyl)-6-piperazin-1-ylpurine
CID 155941202
3-(oxolan-2-ylmethyl)-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 90331972
3-bromo-N-ethenyl-2,6-dimethyl-N-[[(2S)-oxetan-2-yl]methyl]aniline;ethane
CID 176942964

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
The IUPAC name of 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole (CID 176942429) is 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole.
What is the SMILES notation for 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
The canonical SMILES for 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole is Cc1ccc(Br)c2ncn(CC3CCO3)c12.
What is the InChIKey of 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
The InChIKey is AWZUTFHTHWXDQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-8-2-3-10(13)11-12(8)15(7-14-11)6-9-4-5-16-9/h2-3,7,9H,4-6H2,1H3.
What are the key properties of 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole?
4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole has a molecular weight of 281.15 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-methyl-1-(oxetan-2-ylmethyl)benzimidazole is sourced from PubChem (CID 176942429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).