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

C20H14ClF2N3O — CID 164625204

IUPAC6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
SMILESCc1cc(Cl)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H14ClF2N3O/c1-12-8-13(21)2-7-16(12)17-9-19-18(10-24-17)25-11-26(19)14-3-5-15(6-4-14)27-20(22)23/h2-11,20H,1H3
InChIKeyKIYOJBZNLXHFSV-UHFFFAOYSA-N
MW385.80 g/mol
LogP5.65
Rot. Bonds4

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

6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine (PubChem CID 164625204) has the molecular formula C20H14ClF2N3O and a molecular weight of 385.80 g/mol. Its IUPAC name is 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
PubChem CID164625204
Molecular FormulaC20H14ClF2N3O
Molecular Weight385.80 g/mol
Exact Mass385.08
IUPAC Name6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine
SMILESCc1cc(Cl)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1
InChIInChI=1S/C20H14ClF2N3O/c1-12-8-13(21)2-7-16(12)17-9-19-18(10-24-17)25-11-26(19)14-3-5-15(6-4-14)27-20(22)23/h2-11,20H,1H3
InChIKeyKIYOJBZNLXHFSV-UHFFFAOYSA-N
XLogP5.65
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.80
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine (CID 164625204) is 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine is Cc1cc(Cl)ccc1-c1cc2c(cn1)ncn2-c1ccc(OC(F)F)cc1.
What is the InChIKey of 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is KIYOJBZNLXHFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF2N3O/c1-12-8-13(21)2-7-16(12)17-9-19-18(10-24-17)25-11-26(19)14-3-5-15(6-4-14)27-20(22)23/h2-11,20H,1H3.
What are the key properties of 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine?
6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 385.80 g/mol, XLogP of 5.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2-methylphenyl)-1-[4-(difluoromethoxy)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 164625204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).