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

C18H15N3OS — CID 1477531

IUPAC5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(=O)CN23)cc1
InChIInChI=1S/C18H15N3OS/c1-12-6-8-13(9-7-12)11-23-18-19-15-5-3-2-4-14(15)17-20-16(22)10-21(17)18/h2-9H,10-11H2,1H3
InChIKeyBGCMRVYUUBZKTN-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.52
Rot. Bonds2

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

5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one (PubChem CID 1477531) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one.

Molecular Properties

Compound Name5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
PubChem CID1477531
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one
SMILESCc1ccc(CSC2=Nc3ccccc3C3=NC(=O)CN23)cc1
InChIInChI=1S/C18H15N3OS/c1-12-6-8-13(9-7-12)11-23-18-19-15-5-3-2-4-14(15)17-20-16(22)10-21(17)18/h2-9H,10-11H2,1H3
InChIKeyBGCMRVYUUBZKTN-UHFFFAOYSA-N
XLogP3.52
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-({2-methyl-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)-N-(2-phenylethyl)acetamide
CID 16028657
2-{[2-(butan-2-yl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-(2-methylphenyl)butanamide
CID 20965633
2-[(3-oxo-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]-N-phenylbutanamide
CID 50798532
2-{[2-(2-methylpropyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-phenylbutanamide
CID 50798587
[(2-Isopropyl-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio]acetonitrile
CID 3244416
N-cyclohexyl-N-methyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 4685148
3-(5-{[(4-methylphenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 5067161
N,N-diethyl-2-({3-oxo-2-phenyl-2H,3H-imidazo[1,2-c]quinazolin-5-yl}sulfanyl)acetamide
CID 9551148
5-{[(4-methylphenyl)methyl]sulfanyl}-2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-2H,3H-imidazo[1,2-c]quinazolin-3-one
CID 15990525
5-[1-(2,3,3a,7a-tetrahydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
CID 168287147
5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-methyl-2H,3H-imidazo[1,2-c]quinazolin-3-one
CID 3236922
2-({2-[2-(benzylamino)-2-oxoethyl]-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}thio)-N-(sec-butyl)acetamide
CID 3244031

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
The IUPAC name of 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one (CID 1477531) is 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one.
What is the SMILES notation for 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
The canonical SMILES for 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one is Cc1ccc(CSC2=Nc3ccccc3C3=NC(=O)CN23)cc1.
What is the InChIKey of 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
The InChIKey is BGCMRVYUUBZKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-6-8-13(9-7-12)11-23-18-19-15-5-3-2-4-14(15)17-20-16(22)10-21(17)18/h2-9H,10-11H2,1H3.
What are the key properties of 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one?
5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one has a molecular weight of 321.41 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylphenyl)methylsulfanyl]-3H-imidazo[1,2-c]quinazolin-2-one is sourced from PubChem (CID 1477531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).