6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine

C34H23ClN2 — CID 132583365

IUPAC6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccccc3)c(C(=C=C(c3ccccc3)c3ccccc3)c3ccccc3)n2c1
InChIInChI=1S/C34H23ClN2/c35-29-21-22-32-36-33(28-19-11-4-12-20-28)34(37(32)24-29)31(27-17-9-3-10-18-27)23-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-22,24H
InChIKeyFNQMOUWEMBDRKQ-UHFFFAOYSA-N
MW495.03 g/mol
LogP8.82
Rot. Bonds5

About 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine

6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine (PubChem CID 132583365) has the molecular formula C34H23ClN2 and a molecular weight of 495.03 g/mol. Its IUPAC name is 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine
PubChem CID132583365
Molecular FormulaC34H23ClN2
Molecular Weight495.03 g/mol
Exact Mass494.15
IUPAC Name6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine
SMILESClc1ccc2nc(-c3ccccc3)c(C(=C=C(c3ccccc3)c3ccccc3)c3ccccc3)n2c1
InChIInChI=1S/C34H23ClN2/c35-29-21-22-32-36-33(28-19-11-4-12-20-28)34(37(32)24-29)31(27-17-9-3-10-18-27)23-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-22,24H
InChIKeyFNQMOUWEMBDRKQ-UHFFFAOYSA-N
XLogP8.82
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.03
LogP ≤ 58.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine (CID 132583365) is 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine is Clc1ccc2nc(-c3ccccc3)c(C(=C=C(c3ccccc3)c3ccccc3)c3ccccc3)n2c1.
What is the InChIKey of 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine?
The InChIKey is FNQMOUWEMBDRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23ClN2/c35-29-21-22-32-36-33(28-19-11-4-12-20-28)34(37(32)24-29)31(27-17-9-3-10-18-27)23-30(25-13-5-1-6-14-25)26-15-7-2-8-16-26/h1-22,24H.
What are the key properties of 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine?
6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine has a molecular weight of 495.03 g/mol, XLogP of 8.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-phenyl-3-(1,3,3-triphenylpropa-1,2-dienyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 132583365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).