4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one

C15H12BrFN2O2 — CID 175994685

IUPAC4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(F)cc(Br)c32)cc1
InChIInChI=1S/C15H12BrFN2O2/c1-21-11-4-2-9(3-5-11)8-19-14-12(16)6-10(17)7-13(14)18-15(19)20/h2-7H,8H2,1H3,(H,18,20)
InChIKeyOANGJMQXXSRSMC-UHFFFAOYSA-N
MW351.18 g/mol
LogP3.29
Rot. Bonds3

About 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one

4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 175994685) has the molecular formula C15H12BrFN2O2 and a molecular weight of 351.18 g/mol. Its IUPAC name is 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID175994685
Molecular FormulaC15H12BrFN2O2
Molecular Weight351.18 g/mol
Exact Mass350.01
IUPAC Name4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cc(F)cc(Br)c32)cc1
InChIInChI=1S/C15H12BrFN2O2/c1-21-11-4-2-9(3-5-11)8-19-14-12(16)6-10(17)7-13(14)18-15(19)20/h2-7H,8H2,1H3,(H,18,20)
InChIKeyOANGJMQXXSRSMC-UHFFFAOYSA-N
XLogP3.29
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one (CID 175994685) is 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one is COc1ccc(Cn2c(=O)[nH]c3cc(F)cc(Br)c32)cc1.
What is the InChIKey of 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is OANGJMQXXSRSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O2/c1-21-11-4-2-9(3-5-11)8-19-14-12(16)6-10(17)7-13(14)18-15(19)20/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 351.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 175994685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).