1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one

C16H15FN2O2 — CID 24609427

IUPAC1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccc(F)cc1Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C16H15FN2O2/c1-18-13-5-3-4-6-14(13)19(16(18)20)10-11-9-12(17)7-8-15(11)21-2/h3-9H,10H2,1-2H3
InChIKeyIAXWNGWFQQYYFT-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.54
Rot. Bonds3

About 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one

1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one (PubChem CID 24609427) has the molecular formula C16H15FN2O2 and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
PubChem CID24609427
Molecular FormulaC16H15FN2O2
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccc(F)cc1Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C16H15FN2O2/c1-18-13-5-3-4-6-14(13)19(16(18)20)10-11-9-12(17)7-8-15(11)21-2/h3-9H,10H2,1-2H3
InChIKeyIAXWNGWFQQYYFT-UHFFFAOYSA-N
XLogP2.54
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one (CID 24609427) is 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one is COc1ccc(F)cc1Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one?
The InChIKey is IAXWNGWFQQYYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O2/c1-18-13-5-3-4-6-14(13)19(16(18)20)10-11-9-12(17)7-8-15(11)21-2/h3-9H,10H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one?
1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one has a molecular weight of 286.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 24609427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).