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

C15H13FN2O2 — CID 117207476

IUPAC6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1cccc(Cn2c(=O)[nH]c3cc(F)ccc32)c1
InChIInChI=1S/C15H13FN2O2/c1-20-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)17-15(18)19/h2-8H,9H2,1H3,(H,17,19)
InChIKeyDIPDKPXAGUPPBS-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.53
Rot. Bonds3

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

6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117207476) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117207476
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1cccc(Cn2c(=O)[nH]c3cc(F)ccc32)c1
InChIInChI=1S/C15H13FN2O2/c1-20-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)17-15(18)19/h2-8H,9H2,1H3,(H,17,19)
InChIKeyDIPDKPXAGUPPBS-UHFFFAOYSA-N
XLogP2.53
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-hydroxyphenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207490
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
6-methoxy-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 18467672
3-[(3,4-difluorophenyl)methyl]-6-(5-fluoro-2-methoxyphenyl)-1H-benzimidazol-2-one
CID 134084681
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
3-[(4-fluorophenyl)methyl]-6-phenyl-1H-benzimidazol-2-one
CID 134084615
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
3-benzyl-6-phenoxy-1H-benzimidazol-2-one
CID 10335905
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 54687588
2-(5-methoxy-2-oxo-3H-benzimidazol-1-yl)acetaldehyde
CID 83833187
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
3-[(3-bromophenyl)methyl]-6-fluoro-1H-benzimidazole-2-thione
CID 61410601

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one (CID 117207476) is 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one is COc1cccc(Cn2c(=O)[nH]c3cc(F)ccc32)c1.
What is the InChIKey of 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is DIPDKPXAGUPPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-12-4-2-3-10(7-12)9-18-14-6-5-11(16)8-13(14)17-15(18)19/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117207476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).