6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline

C21H15N3O — CID 12826322

IUPAC6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
SMILESCOc1ccc(-c2nc3ccccc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C21H15N3O/c1-25-15-12-10-14(11-13-15)20-22-17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24(20)21/h2-13H,1H3
InChIKeyZOKDNKPVMZALNJ-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.71
Rot. Bonds2

About 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline

6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline (PubChem CID 12826322) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
PubChem CID12826322
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
SMILESCOc1ccc(-c2nc3ccccc3c3nc4ccccc4n23)cc1
InChIInChI=1S/C21H15N3O/c1-25-15-12-10-14(11-13-15)20-22-17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24(20)21/h2-13H,1H3
InChIKeyZOKDNKPVMZALNJ-UHFFFAOYSA-N
XLogP4.71
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline (CID 12826322) is 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline is COc1ccc(-c2nc3ccccc3c3nc4ccccc4n23)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is ZOKDNKPVMZALNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c1-25-15-12-10-14(11-13-15)20-22-17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24(20)21/h2-13H,1H3.
What are the key properties of 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline?
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 325.37 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 12826322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).