3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one

C21H15F3N2O2 — CID 134084681

IUPAC3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H15F3N2O2/c1-28-20-7-4-14(22)10-15(20)13-3-6-19-18(9-13)25-21(27)26(19)11-12-2-5-16(23)17(24)8-12/h2-10H,11H2,1H3,(H,25,27)
InChIKeyDHCDLKFYCZYLDB-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.47
Rot. Bonds4

About 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one

3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one (PubChem CID 134084681) has the molecular formula C21H15F3N2O2 and a molecular weight of 384.36 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
PubChem CID134084681
Molecular FormulaC21H15F3N2O2
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(F)cc1-c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)c(F)c1
InChIInChI=1S/C21H15F3N2O2/c1-28-20-7-4-14(22)10-15(20)13-3-6-19-18(9-13)25-21(27)26(19)11-12-2-5-16(23)17(24)8-12/h2-10H,11H2,1H3,(H,25,27)
InChIKeyDHCDLKFYCZYLDB-UHFFFAOYSA-N
XLogP4.47
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethylbutyl)-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 134084700
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
6-chloro-3-[(4-chlorophenyl)methyl]-1H-benzimidazol-2-one
CID 117207534
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
4-(chloromethyl)-2-(3,4-difluorophenyl)-1-methoxybenzene
CID 82123483
2-fluoro-4-(5-fluoro-2-methoxyphenyl)phenol
CID 53219462
3-benzyl-6-[4-(phenylmethoxymethyl)phenyl]-1H-benzimidazol-2-one
CID 134084598
3-[(3-ethoxy-4-methoxyphenyl)methyl]-6-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 138737245
3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one (CID 134084681) is 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one is COc1ccc(F)cc1-c1ccc2c(c1)[nH]c(=O)n2Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
The InChIKey is DHCDLKFYCZYLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O2/c1-28-20-7-4-14(22)10-15(20)13-3-6-19-18(9-13)25-21(27)26(19)11-12-2-5-16(23)17(24)8-12/h2-10H,11H2,1H3,(H,25,27).
What are the key properties of 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one?
3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one has a molecular weight of 384.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 134084681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).