1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine

C20H15F3N4O — CID 71728706

IUPAC1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine
SMILESCn1c(-c2ccccc2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O/c1-27-17-11-18(25-14-8-5-9-15(10-14)28-20(21,22)23)24-12-16(17)26-19(27)13-6-3-2-4-7-13/h2-12H,1H3,(H,24,25)
InChIKeySMTKIMOGLCULNM-UHFFFAOYSA-N
MW384.36 g/mol
LogP5.28
Rot. Bonds4

About 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine

1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine (PubChem CID 71728706) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine.

Molecular Properties

Compound Name1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine
PubChem CID71728706
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine
SMILESCn1c(-c2ccccc2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O/c1-27-17-11-18(25-14-8-5-9-15(10-14)28-20(21,22)23)24-12-16(17)26-19(27)13-6-3-2-4-7-13/h2-12H,1H3,(H,24,25)
InChIKeySMTKIMOGLCULNM-UHFFFAOYSA-N
XLogP5.28
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.36
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine?
The IUPAC name of 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine (CID 71728706) is 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine.
What is the SMILES notation for 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine?
The canonical SMILES for 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine is Cn1c(-c2ccccc2)nc2cnc(Nc3cccc(OC(F)(F)F)c3)cc21.
What is the InChIKey of 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine?
The InChIKey is SMTKIMOGLCULNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-27-17-11-18(25-14-8-5-9-15(10-14)28-20(21,22)23)24-12-16(17)26-19(27)13-6-3-2-4-7-13/h2-12H,1H3,(H,24,25).
What are the key properties of 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine?
1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine has a molecular weight of 384.36 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-N-[3-(trifluoromethoxy)phenyl]imidazo[4,5-c]pyridin-6-amine is sourced from PubChem (CID 71728706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).