9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione

C22H14ClN3S — CID 44614507

IUPAC9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione
SMILESS=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C22H14ClN3S/c23-16-11-12-18-17(13-16)21-25-19(14-7-3-1-4-8-14)20(26(21)22(27)24-18)15-9-5-2-6-10-15/h1-13H,(H,24,27)
InChIKeyBOKDYJYXNSOBJY-UHFFFAOYSA-N
MW387.90 g/mol
LogP6.53
Rot. Bonds2

About 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione

9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione (PubChem CID 44614507) has the molecular formula C22H14ClN3S and a molecular weight of 387.90 g/mol. Its IUPAC name is 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione.

Molecular Properties

Compound Name9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione
PubChem CID44614507
Molecular FormulaC22H14ClN3S
Molecular Weight387.90 g/mol
Exact Mass387.06
IUPAC Name9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione
SMILESS=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccccc3)c(-c3ccccc3)n12
InChIInChI=1S/C22H14ClN3S/c23-16-11-12-18-17(13-16)21-25-19(14-7-3-1-4-8-14)20(26(21)22(27)24-18)15-9-5-2-6-10-15/h1-13H,(H,24,27)
InChIKeyBOKDYJYXNSOBJY-UHFFFAOYSA-N
XLogP6.53
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.90
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione?
The IUPAC name of 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione (CID 44614507) is 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione.
What is the SMILES notation for 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione?
The canonical SMILES for 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione is S=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccccc3)c(-c3ccccc3)n12.
What is the InChIKey of 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione?
The InChIKey is BOKDYJYXNSOBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3S/c23-16-11-12-18-17(13-16)21-25-19(14-7-3-1-4-8-14)20(26(21)22(27)24-18)15-9-5-2-6-10-15/h1-13H,(H,24,27).
What are the key properties of 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione?
9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione has a molecular weight of 387.90 g/mol, XLogP of 6.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,3-diphenyl-6H-imidazo[1,2-c]quinazoline-5-thione is sourced from PubChem (CID 44614507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).