5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline

C29H21N3 — CID 177379718

IUPAC5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
SMILESCc1ccc(-c2nc3ccccc3c3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1
InChIInChI=1S/C29H21N3/c1-20-16-18-23(19-17-20)28-30-25-15-9-8-14-24(25)29-31-26(21-10-4-2-5-11-21)27(32(28)29)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyJSIMTHYBPOUORJ-UHFFFAOYSA-N
MW411.51 g/mol
LogP7.19
Rot. Bonds3

About 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline

5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline (PubChem CID 177379718) has the molecular formula C29H21N3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline.

Molecular Properties

Compound Name5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
PubChem CID177379718
Molecular FormulaC29H21N3
Molecular Weight411.51 g/mol
Exact Mass411.17
IUPAC Name5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline
SMILESCc1ccc(-c2nc3ccccc3c3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1
InChIInChI=1S/C29H21N3/c1-20-16-18-23(19-17-20)28-30-25-15-9-8-14-24(25)29-31-26(21-10-4-2-5-11-21)27(32(28)29)22-12-6-3-7-13-22/h2-19H,1H3
InChIKeyJSIMTHYBPOUORJ-UHFFFAOYSA-N
XLogP7.19
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
The IUPAC name of 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline (CID 177379718) is 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline.
What is the SMILES notation for 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
The canonical SMILES for 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline is Cc1ccc(-c2nc3ccccc3c3nc(-c4ccccc4)c(-c4ccccc4)n23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
The InChIKey is JSIMTHYBPOUORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3/c1-20-16-18-23(19-17-20)28-30-25-15-9-8-14-24(25)29-31-26(21-10-4-2-5-11-21)27(32(28)29)22-12-6-3-7-13-22/h2-19H,1H3.
What are the key properties of 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline?
5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline has a molecular weight of 411.51 g/mol, XLogP of 7.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2,3-diphenylimidazo[1,2-c]quinazoline is sourced from PubChem (CID 177379718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).