7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C19H14F3N3O2 — CID 45495339

IUPAC7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2cccc(O)c2)c2ncn(-c3ccc(C(F)(F)F)cc3)c2N1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)12-4-6-13(7-5-12)25-10-23-17-15(9-16(27)24-18(17)25)11-2-1-3-14(26)8-11/h1-8,10,15,26H,9H2,(H,24,27)
InChIKeyMRWKGWAEQPGPCV-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.07
Rot. Bonds2

About 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 45495339) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID45495339
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2cccc(O)c2)c2ncn(-c3ccc(C(F)(F)F)cc3)c2N1
InChIInChI=1S/C19H14F3N3O2/c20-19(21,22)12-4-6-13(7-5-12)25-10-23-17-15(9-16(27)24-18(17)25)11-2-1-3-14(26)8-11/h1-8,10,15,26H,9H2,(H,24,27)
InChIKeyMRWKGWAEQPGPCV-UHFFFAOYSA-N
XLogP4.07
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 45495339) is 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1CC(c2cccc(O)c2)c2ncn(-c3ccc(C(F)(F)F)cc3)c2N1.
What is the InChIKey of 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is MRWKGWAEQPGPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c20-19(21,22)12-4-6-13(7-5-12)25-10-23-17-15(9-16(27)24-18(17)25)11-2-1-3-14(26)8-11/h1-8,10,15,26H,9H2,(H,24,27).
What are the key properties of 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 373.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxyphenyl)-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45495339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).