1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride

C13H17ClN2S — CID 2999095

IUPAC1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride
SMILESCCSc1cnc(-c2ccccc2)n1CC.[Cl-].[H+]
InChIInChI=1S/C13H16N2S.ClH/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11;/h5-10H,3-4H2,1-2H3;1H
InChIKeyIXSGMVYNIDMETE-UHFFFAOYSA-N
MW268.81 g/mol
LogP0.80
Rot. Bonds4

About 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride

1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride (PubChem CID 2999095) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride.

Molecular Properties

Compound Name1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride
PubChem CID2999095
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride
SMILESCCSc1cnc(-c2ccccc2)n1CC.[Cl-].[H+]
InChIInChI=1S/C13H16N2S.ClH/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11;/h5-10H,3-4H2,1-2H3;1H
InChIKeyIXSGMVYNIDMETE-UHFFFAOYSA-N
XLogP0.80
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-3-ethyl-2-phenylpyrimidin-4-one
CID 142150643
1-benzyl-5-methyl-2-phenylimidazole
CID 10467205
5-chloro-1-ethyl-2-(4-methylphenyl)imidazole
CID 117259483
3-butylsulfanyl-4-ethyl-5-phenyl-1,2,4-triazole
CID 78812573
3-ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
3-ethyl-5-methylsulfanyl-2-phenylimidazo[4,5-b]pyridine
CID 147552654
1-butyl-2-phenyl-5-(trifluoromethyl)imidazole
CID 175241563
2-chloro-3-ethylsulfanyl-5-phenylpyridine
CID 146231750
(1R)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanol
CID 2479408
2-[3-(bromomethyl)phenyl]-1-ethyl-5-methylimidazole
CID 174230206
1-ethyl-2,3-dimethyl-7-phenylpyrrolo[2,3-c]pyridine
CID 67142264
2-(1-methyl-5-phenylimidazol-2-yl)pyridine
CID 53243377

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride?
The IUPAC name of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride (CID 2999095) is 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride.
What is the SMILES notation for 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride?
The canonical SMILES for 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride is CCSc1cnc(-c2ccccc2)n1CC.[Cl-].[H+].
What is the InChIKey of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride?
The InChIKey is IXSGMVYNIDMETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.ClH/c1-3-15-12(16-4-2)10-14-13(15)11-8-6-5-7-9-11;/h5-10H,3-4H2,1-2H3;1H.
What are the key properties of 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride?
1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride has a molecular weight of 268.81 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-ethylsulfanyl-2-phenylimidazole;hydron;chloride is sourced from PubChem (CID 2999095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).