3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one

C20H13ClF3N3O2 — CID 162572401

IUPAC3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2ccncc2n1-c1ccc(OCc2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C20H13ClF3N3O2/c21-15-9-14(27-17-10-25-8-7-16(17)26-19(27)28)5-6-18(15)29-11-12-1-3-13(4-2-12)20(22,23)24/h1-10H,11H2,(H,26,28)
InChIKeyFTYSCPUTKUTROO-UHFFFAOYSA-N
MW419.79 g/mol
LogP4.97
Rot. Bonds4

About 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one

3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 162572401) has the molecular formula C20H13ClF3N3O2 and a molecular weight of 419.79 g/mol. Its IUPAC name is 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID162572401
Molecular FormulaC20H13ClF3N3O2
Molecular Weight419.79 g/mol
Exact Mass419.06
IUPAC Name3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one
SMILESO=c1[nH]c2ccncc2n1-c1ccc(OCc2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C20H13ClF3N3O2/c21-15-9-14(27-17-10-25-8-7-16(17)26-19(27)28)5-6-18(15)29-11-12-1-3-13(4-2-12)20(22,23)24/h1-10H,11H2,(H,26,28)
InChIKeyFTYSCPUTKUTROO-UHFFFAOYSA-N
XLogP4.97
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.79
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one (CID 162572401) is 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one is O=c1[nH]c2ccncc2n1-c1ccc(OCc2ccc(C(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is FTYSCPUTKUTROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N3O2/c21-15-9-14(27-17-10-25-8-7-16(17)26-19(27)28)5-6-18(15)29-11-12-1-3-13(4-2-12)20(22,23)24/h1-10H,11H2,(H,26,28).
What are the key properties of 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one?
3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 419.79 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 162572401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).