3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine

C20H16ClN3 — CID 138566817

IUPAC3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
SMILESCCc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3/c1-2-14-3-5-15(6-4-14)20-23-18-11-12-22-13-19(18)24(20)17-9-7-16(21)8-10-17/h3-13H,2H2,1H3
InChIKeyJWSHJLGSVHUHAR-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.30
Rot. Bonds3

About 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine

3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine (PubChem CID 138566817) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
PubChem CID138566817
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC Name3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine
SMILESCCc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H16ClN3/c1-2-14-3-5-15(6-4-14)20-23-18-11-12-22-13-19(18)24(20)17-9-7-16(21)8-10-17/h3-13H,2H2,1H3
InChIKeyJWSHJLGSVHUHAR-UHFFFAOYSA-N
XLogP5.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine (CID 138566817) is 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine is CCc1ccc(-c2nc3ccncc3n2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine?
The InChIKey is JWSHJLGSVHUHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c1-2-14-3-5-15(6-4-14)20-23-18-11-12-22-13-19(18)24(20)17-9-7-16(21)8-10-17/h3-13H,2H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine?
3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine has a molecular weight of 333.82 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-(4-ethylphenyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 138566817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).