8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one

C12H7Cl2N3OS — CID 139427260

IUPAC8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12
InChIInChI=1S/C12H7Cl2N3OS/c13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17/h1-6H,(H,16,18)
InChIKeyJOBNVAJVRPWLGJ-UHFFFAOYSA-N
MW312.18 g/mol
LogP3.48
Rot. Bonds2

About 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one

8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one (PubChem CID 139427260) has the molecular formula C12H7Cl2N3OS and a molecular weight of 312.18 g/mol. Its IUPAC name is 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
PubChem CID139427260
Molecular FormulaC12H7Cl2N3OS
Molecular Weight312.18 g/mol
Exact Mass310.97
IUPAC Name8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
SMILESO=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12
InChIInChI=1S/C12H7Cl2N3OS/c13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17/h1-6H,(H,16,18)
InChIKeyJOBNVAJVRPWLGJ-UHFFFAOYSA-N
XLogP3.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
CID 4097364
2-[(2,3-dichlorophenyl)sulfanylmethyl]-1H-imidazole
CID 24955640
2-[(2,3-dichlorophenyl)sulfinylmethyl]-1H-imidazole
CID 59599699
2-[1-(2,3-dichlorophenyl)sulfanylethenyl]-1H-imidazole
CID 146482718
8-(2-chloro-3-methylphenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one
CID 148829715
5-Chloro-8-(2,3-dichlorophenyl)sulfanyl-5,6-dihydroimidazo[1,2-c]pyrimidine
CID 153558704
8-bromo-6H-imidazo[1,2-c]pyrimidin-5-one;2,3-dichlorobenzenethiol;8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one;molecular nitrogen
CID 159045357
2-(2,5-dichlorophenyl)sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide;hydrochloride
CID 18774666
2-(2-chlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)acetamide
CID 47004950
2-(2,5-dichlorophenyl)sulfanyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47061387
2-(2,5-dichlorophenyl)sulfanyl-N-[2-(1-methylimidazol-2-yl)ethyl]propanamide
CID 56282670
2-(2,5-dichlorophenyl)sulfanyl-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
CID 63940436

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one (CID 139427260) is 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one is O=c1[nH]cc(Sc2cccc(Cl)c2Cl)c2nccn12.
What is the InChIKey of 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
The InChIKey is JOBNVAJVRPWLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3OS/c13-7-2-1-3-8(10(7)14)19-9-6-16-12(18)17-5-4-15-11(9)17/h1-6H,(H,16,18).
What are the key properties of 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one?
8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one has a molecular weight of 312.18 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dichlorophenyl)sulfanyl-6H-imidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 139427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).