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

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Related Compounds

4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117209092
3-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593
8-bromo-3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 176864839
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030945
1,3-bis[(4-methoxyphenyl)methyl]-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 88967852
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
methyl 1-[(4-methoxyphenyl)methyl]-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylate
CID 166099459

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).