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

C20H12ClN3 — CID 630151

IUPAC6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline
SMILESClc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C20H12ClN3/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12H
InChIKeyLYNSDQPITKSTQY-UHFFFAOYSA-N
MW329.79 g/mol
LogP5.36
Rot. Bonds1

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

6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline (PubChem CID 630151) has the molecular formula C20H12ClN3 and a molecular weight of 329.79 g/mol. Its IUPAC name is 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline
PubChem CID630151
Molecular FormulaC20H12ClN3
Molecular Weight329.79 g/mol
Exact Mass329.07
IUPAC Name6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline
SMILESClc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12
InChIInChI=1S/C20H12ClN3/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12H
InChIKeyLYNSDQPITKSTQY-UHFFFAOYSA-N
XLogP5.36
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.79
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline (CID 630151) is 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline is Clc1ccccc1-c1nc2ccccc2c2nc3ccccc3n12.
What is the InChIKey of 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is LYNSDQPITKSTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12H.
What are the key properties of 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline?
6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 329.79 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 630151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).