8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine

C28H22N4 — CID 122382361

IUPAC8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cccn2c(-c3c(-c4ccccc4)nc4c(C)cccn34)c(-c3ccccc3)nc12
InChIInChI=1S/C28H22N4/c1-19-11-9-17-31-25(23(29-27(19)31)21-13-5-3-6-14-21)26-24(22-15-7-4-8-16-22)30-28-20(2)12-10-18-32(26)28/h3-18H,1-2H3
InChIKeyDDDBUMOQDXJOTH-UHFFFAOYSA-N
MW414.51 g/mol
LogP6.60
Rot. Bonds3

About 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine

8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine (PubChem CID 122382361) has the molecular formula C28H22N4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
PubChem CID122382361
Molecular FormulaC28H22N4
Molecular Weight414.51 g/mol
Exact Mass414.18
IUPAC Name8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine
SMILESCc1cccn2c(-c3c(-c4ccccc4)nc4c(C)cccn34)c(-c3ccccc3)nc12
InChIInChI=1S/C28H22N4/c1-19-11-9-17-31-25(23(29-27(19)31)21-13-5-3-6-14-21)26-24(22-15-7-4-8-16-22)30-28-20(2)12-10-18-32(26)28/h3-18H,1-2H3
InChIKeyDDDBUMOQDXJOTH-UHFFFAOYSA-N
XLogP6.60
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine (CID 122382361) is 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine is Cc1cccn2c(-c3c(-c4ccccc4)nc4c(C)cccn34)c(-c3ccccc3)nc12.
What is the InChIKey of 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is DDDBUMOQDXJOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4/c1-19-11-9-17-31-25(23(29-27(19)31)21-13-5-3-6-14-21)26-24(22-15-7-4-8-16-22)30-28-20(2)12-10-18-32(26)28/h3-18H,1-2H3.
What are the key properties of 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine?
8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 414.51 g/mol, XLogP of 6.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(8-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 122382361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).