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

C15H13FN2O2 — CID 117209092

IUPAC4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cccc(F)c32)cc1
InChIInChI=1S/C15H13FN2O2/c1-20-11-7-5-10(6-8-11)9-18-14-12(16)3-2-4-13(14)17-15(18)19/h2-8H,9H2,1H3,(H,17,19)
InChIKeyKZNWMFDJMLJURO-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.53
Rot. Bonds3

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

4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one (PubChem CID 117209092) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
PubChem CID117209092
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
SMILESCOc1ccc(Cn2c(=O)[nH]c3cccc(F)c32)cc1
InChIInChI=1S/C15H13FN2O2/c1-20-11-7-5-10(6-8-11)9-18-14-12(16)3-2-4-13(14)17-15(18)19/h2-8H,9H2,1H3,(H,17,19)
InChIKeyKZNWMFDJMLJURO-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-[(4-methoxyphenyl)methyl]-4-methyl-1H-benzimidazol-2-one
CID 117209083
3-benzyl-4-fluoro-1H-benzimidazol-2-one
CID 83415339
3-[(3-chlorophenyl)methyl]-4-fluoro-1H-benzimidazol-2-one
CID 117209019
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
4-bromo-6-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 175994685
3-[(4-chlorophenyl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207544
7,8-difluoro-3-[(4-methoxyphenyl)methyl]-1H-quinazoline-2,4-dione
CID 118498697
3-[(4-methoxyphenyl)methyl]-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 45030945
4-fluoro-3-[[2-(trifluoromethyl)phenyl]methyl]-1H-benzimidazol-2-one
CID 117209050
5-fluoro-1-[(4-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 3069741
1,3-bis[(4-methoxyphenyl)methyl]-6-sulfanylidene-1,3,5-triazinane-2,4-dione
CID 88967852
3-[(4-methoxyphenyl)methyl]-6-methyl-1H-quinazoline-2,4-dione
CID 22449593

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The IUPAC name of 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one (CID 117209092) is 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The canonical SMILES for 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one is COc1ccc(Cn2c(=O)[nH]c3cccc(F)c32)cc1.
What is the InChIKey of 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
The InChIKey is KZNWMFDJMLJURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-20-11-7-5-10(6-8-11)9-18-14-12(16)3-2-4-13(14)17-15(18)19/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one?
4-fluoro-3-[(4-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 4-fluoro-3-[(4-methoxyphenyl)methyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 117209092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).