2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline

C21H20N4 — CID 71543741

IUPAC2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
SMILESCc1nc(CCc2nc(-c3ccccc3)cn2C)c2ccccc2n1
InChIInChI=1S/C21H20N4/c1-15-22-18-11-7-6-10-17(18)19(23-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyHHFRGRYYQUQUMG-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.12
Rot. Bonds4

About 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline

2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline (PubChem CID 71543741) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline.

Molecular Properties

Compound Name2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
PubChem CID71543741
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline
SMILESCc1nc(CCc2nc(-c3ccccc3)cn2C)c2ccccc2n1
InChIInChI=1S/C21H20N4/c1-15-22-18-11-7-6-10-17(18)19(23-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKeyHHFRGRYYQUQUMG-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
The IUPAC name of 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline (CID 71543741) is 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline.
What is the SMILES notation for 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
The canonical SMILES for 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline is Cc1nc(CCc2nc(-c3ccccc3)cn2C)c2ccccc2n1.
What is the InChIKey of 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
The InChIKey is HHFRGRYYQUQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-15-22-18-11-7-6-10-17(18)19(23-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3.
What are the key properties of 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline?
2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline has a molecular weight of 328.42 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinazoline is sourced from PubChem (CID 71543741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).