5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one

C15H13FN2O2 — CID 155560925

IUPAC5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(OCc3cccc(F)c3)cc21
InChIInChI=1S/C15H13FN2O2/c1-18-14-8-12(5-6-13(14)17-15(18)19)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyCLDDRIOTMQZSIL-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.58
Rot. Bonds3

About 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one

5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one (PubChem CID 155560925) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one
PubChem CID155560925
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2ccc(OCc3cccc(F)c3)cc21
InChIInChI=1S/C15H13FN2O2/c1-18-14-8-12(5-6-13(14)17-15(18)19)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H,17,19)
InChIKeyCLDDRIOTMQZSIL-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one (CID 155560925) is 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2ccc(OCc3cccc(F)c3)cc21.
What is the InChIKey of 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one?
The InChIKey is CLDDRIOTMQZSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-18-14-8-12(5-6-13(14)17-15(18)19)20-9-10-3-2-4-11(16)7-10/h2-8H,9H2,1H3,(H,17,19).
What are the key properties of 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one?
5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one has a molecular weight of 272.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)methoxy]-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 155560925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).