2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole

C12H14N2O2S — CID 15077503

IUPAC2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole
SMILESCOc1ccc(Sc2nccn2C)cc1OC
InChIInChI=1S/C12H14N2O2S/c1-14-7-6-13-12(14)17-9-4-5-10(15-2)11(8-9)16-3/h4-8H,1-3H3
InChIKeyUQNNIGUQHSFPRY-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.59
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole

2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole (PubChem CID 15077503) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole
PubChem CID15077503
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole
SMILESCOc1ccc(Sc2nccn2C)cc1OC
InChIInChI=1S/C12H14N2O2S/c1-14-7-6-13-12(14)17-9-4-5-10(15-2)11(8-9)16-3/h4-8H,1-3H3
InChIKeyUQNNIGUQHSFPRY-UHFFFAOYSA-N
XLogP2.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1-methylimidazol-2-yl)sulfanylaniline
CID 43436429
2-methyl-4-(1-methylimidazol-2-yl)sulfanylbenzonitrile
CID 81281637
[2-bromo-4-(1-methylimidazol-2-yl)sulfanylphenyl]methanamine
CID 107280501
1-[2-amino-5-(1-methylimidazol-2-yl)sulfanylphenyl]ethanone
CID 113433105
2-amino-4-(1-methylimidazol-2-yl)sulfanylbenzoic acid
CID 104501095
(1R)-1-[4-(1-methylimidazol-2-yl)sulfanylphenyl]ethanol
CID 78951902
1-(2,5-dimethoxyphenyl)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 55580013
2-(4-isocyanatophenyl)sulfanyl-1-methylimidazole
CID 169353092
3,4,5-trimethoxy-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-2-nitrobenzamide
CID 55497555
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235
5-(1-methylimidazol-2-yl)sulfanylpyridine-2-carboximidamide
CID 115490097
2-(2-methoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylethanamine
CID 55021604

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole (CID 15077503) is 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole is COc1ccc(Sc2nccn2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole?
The InChIKey is UQNNIGUQHSFPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-14-7-6-13-12(14)17-9-4-5-10(15-2)11(8-9)16-3/h4-8H,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole?
2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole has a molecular weight of 250.32 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)sulfanyl-1-methylimidazole is sourced from PubChem (CID 15077503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).