2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one

C24H18ClN3OS — CID 5181385

IUPAC2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
SMILESO=C1C(Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N12
InChIInChI=1S/C24H18ClN3OS/c25-18-12-10-17(11-13-18)15-30-24-27-20-9-5-4-8-19(20)22-26-21(23(29)28(22)24)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKeyBYMBSINDRCYAFP-UHFFFAOYSA-N
MW431.95 g/mol
LogP5.47
Rot. Bonds4

About 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one

2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one (PubChem CID 5181385) has the molecular formula C24H18ClN3OS and a molecular weight of 431.95 g/mol. Its IUPAC name is 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one.

Molecular Properties

Compound Name2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
PubChem CID5181385
Molecular FormulaC24H18ClN3OS
Molecular Weight431.95 g/mol
Exact Mass431.09
IUPAC Name2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one
SMILESO=C1C(Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N12
InChIInChI=1S/C24H18ClN3OS/c25-18-12-10-17(11-13-18)15-30-24-27-20-9-5-4-8-19(20)22-26-21(23(29)28(22)24)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2
InChIKeyBYMBSINDRCYAFP-UHFFFAOYSA-N
XLogP5.47
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.95
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one?
The IUPAC name of 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one (CID 5181385) is 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one.
What is the SMILES notation for 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one?
The canonical SMILES for 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one is O=C1C(Cc2ccccc2)N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N12.
What is the InChIKey of 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one?
The InChIKey is BYMBSINDRCYAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3OS/c25-18-12-10-17(11-13-18)15-30-24-27-20-9-5-4-8-19(20)22-26-21(23(29)28(22)24)14-16-6-2-1-3-7-16/h1-13,21H,14-15H2.
What are the key properties of 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one?
2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one has a molecular weight of 431.95 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(4-chlorophenyl)methylsulfanyl]-2H-imidazo[1,2-c]quinazolin-3-one is sourced from PubChem (CID 5181385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).