2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one

C23H18N4O2 — CID 1492403

IUPAC2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H18N4O2/c1-26-20-10-6-5-9-19(20)25-23(26)27-21(15-11-13-16(29-2)14-12-15)24-18-8-4-3-7-17(18)22(27)28/h3-14H,1-2H3
InChIKeyIODZVSVMCGKLMF-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.95
Rot. Bonds3

About 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one

2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one (PubChem CID 1492403) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
PubChem CID1492403
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
SMILESCOc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3n2C)cc1
InChIInChI=1S/C23H18N4O2/c1-26-20-10-6-5-9-19(20)25-23(26)27-21(15-11-13-16(29-2)14-12-15)24-18-8-4-3-7-17(18)22(27)28/h3-14H,1-2H3
InChIKeyIODZVSVMCGKLMF-UHFFFAOYSA-N
XLogP3.95
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
The IUPAC name of 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one (CID 1492403) is 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one is COc1ccc(-c2nc3ccccc3c(=O)n2-c2nc3ccccc3n2C)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
The InChIKey is IODZVSVMCGKLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-26-20-10-6-5-9-19(20)25-23(26)27-21(15-11-13-16(29-2)14-12-15)24-18-8-4-3-7-17(18)22(27)28/h3-14H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one?
2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one has a molecular weight of 382.42 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one is sourced from PubChem (CID 1492403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).