6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C16H11Cl2N3O — CID 171350137

IUPAC6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(-c4ccc(Cl)cc4)c3Cl)N=C2N1
InChIInChI=1S/C16H11Cl2N3O/c17-10-3-1-9(2-4-10)11-5-6-13-12(15(11)18)7-21-8-14(22)20-16(21)19-13/h1-6H,7-8H2,(H,19,20,22)
InChIKeyVEAVBMWKELGHOK-UHFFFAOYSA-N
MW332.19 g/mol
LogP3.59
Rot. Bonds1

About 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 171350137) has the molecular formula C16H11Cl2N3O and a molecular weight of 332.19 g/mol. Its IUPAC name is 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID171350137
Molecular FormulaC16H11Cl2N3O
Molecular Weight332.19 g/mol
Exact Mass331.03
IUPAC Name6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(-c4ccc(Cl)cc4)c3Cl)N=C2N1
InChIInChI=1S/C16H11Cl2N3O/c17-10-3-1-9(2-4-10)11-5-6-13-12(15(11)18)7-21-8-14(22)20-16(21)19-13/h1-6H,7-8H2,(H,19,20,22)
InChIKeyVEAVBMWKELGHOK-UHFFFAOYSA-N
XLogP3.59
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 171350137) is 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3c(ccc(-c4ccc(Cl)cc4)c3Cl)N=C2N1.
What is the InChIKey of 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is VEAVBMWKELGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O/c17-10-3-1-9(2-4-10)11-5-6-13-12(15(11)18)7-21-8-14(22)20-16(21)19-13/h1-6H,7-8H2,(H,19,20,22).
What are the key properties of 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 332.19 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 171350137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).