1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine

C21H17F2N3O — CID 164617719

IUPAC1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C21H17F2N3O/c1-13-3-8-17(14(2)9-13)18-10-20-19(11-24-18)25-12-26(20)15-4-6-16(7-5-15)27-21(22)23/h3-12,21H,1-2H3
InChIKeyYZUUMXNAEYTJGR-UHFFFAOYSA-N
MW365.38 g/mol
LogP5.31
Rot. Bonds4

About 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine

1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine (PubChem CID 164617719) has the molecular formula C21H17F2N3O and a molecular weight of 365.38 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
PubChem CID164617719
Molecular FormulaC21H17F2N3O
Molecular Weight365.38 g/mol
Exact Mass365.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine
SMILESCc1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(F)F)cc2)c(C)c1
InChIInChI=1S/C21H17F2N3O/c1-13-3-8-17(14(2)9-13)18-10-20-19(11-24-18)25-12-26(20)15-4-6-16(7-5-15)27-21(22)23/h3-12,21H,1-2H3
InChIKeyYZUUMXNAEYTJGR-UHFFFAOYSA-N
XLogP5.31
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.38
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine (CID 164617719) is 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine is Cc1ccc(-c2cc3c(cn2)ncn3-c2ccc(OC(F)F)cc2)c(C)c1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is YZUUMXNAEYTJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O/c1-13-3-8-17(14(2)9-13)18-10-20-19(11-24-18)25-12-26(20)15-4-6-16(7-5-15)27-21(22)23/h3-12,21H,1-2H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine?
1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 365.38 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-6-(2,4-dimethylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 164617719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).