4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one

C22H17F4N3O2 — CID 123504976

IUPAC4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc2nc(CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C22H17F4N3O2/c23-15-3-1-14(2-4-15)13-31-17-8-10-29(21(30)12-17)16-5-6-18-19(11-16)28-20(27-18)7-9-22(24,25)26/h1-6,8,10-12H,7,9,13H2,(H,27,28)
InChIKeyKMAKVYOQQLRACR-UHFFFAOYSA-N
MW431.39 g/mol
LogP4.93
Rot. Bonds6

About 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one

4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one (PubChem CID 123504976) has the molecular formula C22H17F4N3O2 and a molecular weight of 431.39 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one
PubChem CID123504976
Molecular FormulaC22H17F4N3O2
Molecular Weight431.39 g/mol
Exact Mass431.13
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one
SMILESO=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc2nc(CCC(F)(F)F)[nH]c2c1
InChIInChI=1S/C22H17F4N3O2/c23-15-3-1-14(2-4-15)13-31-17-8-10-29(21(30)12-17)16-5-6-18-19(11-16)28-20(27-18)7-9-22(24,25)26/h1-6,8,10-12H,7,9,13H2,(H,27,28)
InChIKeyKMAKVYOQQLRACR-UHFFFAOYSA-N
XLogP4.93
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one (CID 123504976) is 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one is O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc2nc(CCC(F)(F)F)[nH]c2c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one?
The InChIKey is KMAKVYOQQLRACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2/c23-15-3-1-14(2-4-15)13-31-17-8-10-29(21(30)12-17)16-5-6-18-19(11-16)28-20(27-18)7-9-22(24,25)26/h1-6,8,10-12H,7,9,13H2,(H,27,28).
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one has a molecular weight of 431.39 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[2-(3,3,3-trifluoropropyl)-3H-benzimidazol-5-yl]pyridin-2-one is sourced from PubChem (CID 123504976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).