3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine

C27H18N2S2 — CID 71699386

IUPAC3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine
SMILESc1ccc(-c2cccc(-c3c(-c4ccsc4)nc4ccc(-c5ccsc5)cn34)c2)cc1
InChIInChI=1S/C27H18N2S2/c1-2-5-19(6-3-1)20-7-4-8-21(15-20)27-26(24-12-14-31-18-24)28-25-10-9-22(16-29(25)27)23-11-13-30-17-23/h1-18H
InChIKeySLTAOWAAZAYMHX-UHFFFAOYSA-N
MW434.59 g/mol
LogP8.13
Rot. Bonds4

About 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine

3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine (PubChem CID 71699386) has the molecular formula C27H18N2S2 and a molecular weight of 434.59 g/mol. Its IUPAC name is 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine
PubChem CID71699386
Molecular FormulaC27H18N2S2
Molecular Weight434.59 g/mol
Exact Mass434.09
IUPAC Name3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine
SMILESc1ccc(-c2cccc(-c3c(-c4ccsc4)nc4ccc(-c5ccsc5)cn34)c2)cc1
InChIInChI=1S/C27H18N2S2/c1-2-5-19(6-3-1)20-7-4-8-21(15-20)27-26(24-12-14-31-18-24)28-25-10-9-22(16-29(25)27)23-11-13-30-17-23/h1-18H
InChIKeySLTAOWAAZAYMHX-UHFFFAOYSA-N
XLogP8.13
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.59
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine (CID 71699386) is 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine is c1ccc(-c2cccc(-c3c(-c4ccsc4)nc4ccc(-c5ccsc5)cn34)c2)cc1.
What is the InChIKey of 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine?
The InChIKey is SLTAOWAAZAYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2S2/c1-2-5-19(6-3-1)20-7-4-8-21(15-20)27-26(24-12-14-31-18-24)28-25-10-9-22(16-29(25)27)23-11-13-30-17-23/h1-18H.
What are the key properties of 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine?
3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine has a molecular weight of 434.59 g/mol, XLogP of 8.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-phenylphenyl)-2,6-di(thiophen-3-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 71699386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).