3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol

C13H13BrF2N2O2 — CID 168998449

IUPAC3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(n2cnc3cc(Br)cc(OC(F)F)c32)C1
InChIInChI=1S/C13H13BrF2N2O2/c1-13(19)4-8(5-13)18-6-17-9-2-7(14)3-10(11(9)18)20-12(15)16/h2-3,6,8,12,19H,4-5H2,1H3
InChIKeyLJPIGGPBONKJTD-UHFFFAOYSA-N
MW347.16 g/mol
LogP3.49
Rot. Bonds3

About 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol

3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol (PubChem CID 168998449) has the molecular formula C13H13BrF2N2O2 and a molecular weight of 347.16 g/mol. Its IUPAC name is 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol
PubChem CID168998449
Molecular FormulaC13H13BrF2N2O2
Molecular Weight347.16 g/mol
Exact Mass346.01
IUPAC Name3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CC(n2cnc3cc(Br)cc(OC(F)F)c32)C1
InChIInChI=1S/C13H13BrF2N2O2/c1-13(19)4-8(5-13)18-6-17-9-2-7(14)3-10(11(9)18)20-12(15)16/h2-3,6,8,12,19H,4-5H2,1H3
InChIKeyLJPIGGPBONKJTD-UHFFFAOYSA-N
XLogP3.49
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.16
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol 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

1H-Benzimidazole, 5-bromo-7-methoxy-
CID 100665334
4-(benzyloxy)-6-bromo-1,2-dimethyl-1H-benzo[d]imidazole
CID 69134260
7-Bromo-4-methoxy-1-propyl-2-(trifluoromethyl)benzimidazole
CID 18316613
4-Bromo-7-methoxy-3-methyl-2-trifluoromethylbenzimidazole
CID 18316622
7-Methoxy-3-propyl-2-trifluoromethylbenzimidazole
CID 18316637
1-(Difluoromethyl)-4-methoxybenzimidazole
CID 66698151
4-Benzyloxy-6-bromo-1-methyl-2-trifluoromethyl-1H-benzimidazole
CID 69134405
5-Bromo-7-[(4-fluorophenyl)methoxy]-1-(3-methoxypropyl)-2-methylbenzimidazole
CID 69499373
5-Bromo-7-[(4-fluorophenyl)methoxy]-1-(2-methoxyethyl)-2-methylbenzimidazole
CID 69501547
6-bromo-1-(3,5-difluorophenyl)-4-methoxy-1H-benzo[d]imidazol-2-amine
CID 71295658
6-Bromo-5-(cyclobutylmethoxy)-1-ethylbenzimidazole;2,2,2-trifluoroacetic acid
CID 118093641
5-Bromo-6-(cyclobutylmethoxy)-1-ethylbenzimidazole;2,2,2-trifluoroacetic acid
CID 118093645

Frequently Asked Questions

What is the IUPAC name of 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol (CID 168998449) is 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol is CC1(O)CC(n2cnc3cc(Br)cc(OC(F)F)c32)C1.
What is the InChIKey of 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol?
The InChIKey is LJPIGGPBONKJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF2N2O2/c1-13(19)4-8(5-13)18-6-17-9-2-7(14)3-10(11(9)18)20-12(15)16/h2-3,6,8,12,19H,4-5H2,1H3.
What are the key properties of 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol?
3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol has a molecular weight of 347.16 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-bromo-7-(difluoromethoxy)benzimidazol-1-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 168998449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).