1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole

C13H13ClN2S — CID 47134933

IUPAC1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
SMILESC=C(C)CSc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2S/c1-10(2)9-17-13-15-6-7-16(13)12-5-3-4-11(14)8-12/h3-8H,1,9H2,2H3
InChIKeyGVBPAOGQGKLWLA-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.19
Rot. Bonds4

About 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole

1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole (PubChem CID 47134933) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
PubChem CID47134933
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole
SMILESC=C(C)CSc1nccn1-c1cccc(Cl)c1
InChIInChI=1S/C13H13ClN2S/c1-10(2)9-17-13-15-6-7-16(13)12-5-3-4-11(14)8-12/h3-8H,1,9H2,2H3
InChIKeyGVBPAOGQGKLWLA-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 17458683
N-(3-chlorophenyl)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetamide
CID 4061693
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-cyanoethyl)-N-ethylacetamide
CID 87018865
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36621913
4-chloro-N'-[2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylacetyl]benzohydrazide
CID 46811521
4-[1-(3-chlorophenyl)imidazol-2-yl]sulfanylbutanenitrile
CID 134010953
4-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyridin-2-amine
CID 146128776
2-ethylsulfanyl-1-(3-methylphenyl)imidazole
CID 52557983
2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetic acid
CID 4961838
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(1-cyanocyclohexyl)acetamide
CID 29484884
2-[[1-(3-chlorophenyl)imidazol-2-yl]sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one
CID 51259735

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole?
The IUPAC name of 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole (CID 47134933) is 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole?
The canonical SMILES for 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole is C=C(C)CSc1nccn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole?
The InChIKey is GVBPAOGQGKLWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-10(2)9-17-13-15-6-7-16(13)12-5-3-4-11(14)8-12/h3-8H,1,9H2,2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole?
1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole has a molecular weight of 264.78 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(2-methylprop-2-enylsulfanyl)imidazole is sourced from PubChem (CID 47134933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).