2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine

C13H8Cl2N4S — CID 175873360

IUPAC2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine
SMILESClc1ccccc1Sc1cnc(Cl)c(-n2ccnc2)n1
InChIInChI=1S/C13H8Cl2N4S/c14-9-3-1-2-4-10(9)20-11-7-17-12(15)13(18-11)19-6-5-16-8-19/h1-8H
InChIKeyBQMMRKNBGXAUNI-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.12
Rot. Bonds3

About 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine

2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine (PubChem CID 175873360) has the molecular formula C13H8Cl2N4S and a molecular weight of 323.21 g/mol. Its IUPAC name is 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine.

Molecular Properties

Compound Name2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine
PubChem CID175873360
Molecular FormulaC13H8Cl2N4S
Molecular Weight323.21 g/mol
Exact Mass321.98
IUPAC Name2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine
SMILESClc1ccccc1Sc1cnc(Cl)c(-n2ccnc2)n1
InChIInChI=1S/C13H8Cl2N4S/c14-9-3-1-2-4-10(9)20-11-7-17-12(15)13(18-11)19-6-5-16-8-19/h1-8H
InChIKeyBQMMRKNBGXAUNI-UHFFFAOYSA-N
XLogP4.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-Chlorophenyl)sulfanylethyl]imidazole
CID 762587
2-Chloro-4-(2-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62866328
2-Chloro-4-(4-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 62868065
2-Chloro-4-(3-fluorophenyl)sulfanyl-6-imidazol-1-yl-1,3,5-triazine
CID 80065473
2-[(2-Chlorophenyl)sulfanylmethyl]-1-(difluoromethyl)imidazole
CID 133814132
1-[2,2-bis(4-chlorophenythio)ethyl]-1H-imidazole
CID 13320314
2-(2-Chlorophenyl)sulfanyl-1-methylimidazole
CID 15077484
1-Butyl-2-(4-chlorophenyl)sulfanylimidazole
CID 15077490
2-[(2,6-Dichlorophenyl)thio]-1-methyl-1H-imidazole
CID 15077493
2-(2,4-Dichlorophenyl)sulfanyl-1-methylimidazole
CID 15077496
1-Tert-butyl-2-(2-chlorophenyl)sulfanylimidazole
CID 15077505
2-(2,5-Dichlorophenyl)sulfanyl-1-methylimidazole
CID 15077508

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine?
The IUPAC name of 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine (CID 175873360) is 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine.
What is the SMILES notation for 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine?
The canonical SMILES for 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine is Clc1ccccc1Sc1cnc(Cl)c(-n2ccnc2)n1.
What is the InChIKey of 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine?
The InChIKey is BQMMRKNBGXAUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4S/c14-9-3-1-2-4-10(9)20-11-7-17-12(15)13(18-11)19-6-5-16-8-19/h1-8H.
What are the key properties of 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine?
2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine has a molecular weight of 323.21 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-chlorophenyl)sulfanyl-3-imidazol-1-ylpyrazine is sourced from PubChem (CID 175873360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).