4-imidazol-1-yl-2-(2-methylphenyl)quinazoline

C18H14N4 — CID 3233822

IUPAC4-imidazol-1-yl-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(-n2ccnc2)c2ccccc2n1
InChIInChI=1S/C18H14N4/c1-13-6-2-3-7-14(13)17-20-16-9-5-4-8-15(16)18(21-17)22-11-10-19-12-22/h2-12H,1H3
InChIKeyOFYWDJOLBWYIPK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.79
Rot. Bonds2

About 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline

4-imidazol-1-yl-2-(2-methylphenyl)quinazoline (PubChem CID 3233822) has the molecular formula C18H14N4 and a molecular weight of 286.34 g/mol. Its IUPAC name is 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline.

Molecular Properties

Compound Name4-imidazol-1-yl-2-(2-methylphenyl)quinazoline
PubChem CID3233822
Molecular FormulaC18H14N4
Molecular Weight286.34 g/mol
Exact Mass286.12
IUPAC Name4-imidazol-1-yl-2-(2-methylphenyl)quinazoline
SMILESCc1ccccc1-c1nc(-n2ccnc2)c2ccccc2n1
InChIInChI=1S/C18H14N4/c1-13-6-2-3-7-14(13)17-20-16-9-5-4-8-15(16)18(21-17)22-11-10-19-12-22/h2-12H,1H3
InChIKeyOFYWDJOLBWYIPK-UHFFFAOYSA-N
XLogP3.79
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline?
The IUPAC name of 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline (CID 3233822) is 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline.
What is the SMILES notation for 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline?
The canonical SMILES for 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline is Cc1ccccc1-c1nc(-n2ccnc2)c2ccccc2n1.
What is the InChIKey of 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline?
The InChIKey is OFYWDJOLBWYIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4/c1-13-6-2-3-7-14(13)17-20-16-9-5-4-8-15(16)18(21-17)22-11-10-19-12-22/h2-12H,1H3.
What are the key properties of 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline?
4-imidazol-1-yl-2-(2-methylphenyl)quinazoline has a molecular weight of 286.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-2-(2-methylphenyl)quinazoline is sourced from PubChem (CID 3233822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).