4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine

C10H10ClN3S — CID 82235546

IUPAC4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(Sc2ccccc2Cl)c(N)[nH]1
InChIInChI=1S/C10H10ClN3S/c1-6-13-9(12)10(14-6)15-8-5-3-2-4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyPJSVLLIUUQCUEB-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.10
Rot. Bonds2

About 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine

4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine (PubChem CID 82235546) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
PubChem CID82235546
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine
SMILESCc1nc(Sc2ccccc2Cl)c(N)[nH]1
InChIInChI=1S/C10H10ClN3S/c1-6-13-9(12)10(14-6)15-8-5-3-2-4-7(8)11/h2-5H,12H2,1H3,(H,13,14)
InChIKeyPJSVLLIUUQCUEB-UHFFFAOYSA-N
XLogP3.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-6-(2-chlorophenyl)sulfanylpyridin-2-amine
CID 102761364
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011762
3-(2-chlorophenyl)sulfanyl-4-methylaniline
CID 62590920
3-(2-chlorophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 61091978
5-amino-6-(2-chlorophenyl)sulfanylpyridine-3-carbonitrile
CID 103470794
2-(2-chlorophenyl)sulfanyl-1,3-thiazol-5-amine
CID 102770197
6-(2-chlorophenyl)sulfanylpyrazin-2-amine
CID 80646915
2-methyl-4-(2-methylpropylsulfanyl)-1H-imidazol-5-amine
CID 82237152
3-(2-chlorophenyl)sulfanylquinoxaline-2-carboxamide
CID 175786309
2-(2-chlorophenyl)sulfanylbenzonitrile
CID 15643699
1-(2-chlorophenyl)sulfanyl-3,5-dimethylbenzene
CID 12026855
5-chloro-6-(2-chlorophenyl)sulfanylpyridine-3-carboxamide
CID 55809433

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine?
The IUPAC name of 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine (CID 82235546) is 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine?
The canonical SMILES for 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine is Cc1nc(Sc2ccccc2Cl)c(N)[nH]1.
What is the InChIKey of 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine?
The InChIKey is PJSVLLIUUQCUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-6-13-9(12)10(14-6)15-8-5-3-2-4-7(8)11/h2-5H,12H2,1H3,(H,13,14).
What are the key properties of 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine?
4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine has a molecular weight of 239.73 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfanyl-2-methyl-1H-imidazol-5-amine is sourced from PubChem (CID 82235546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).