1-methyl-5-methylsulfanyl-4-phenylimidazole

C11H12N2S — CID 130256791

IUPAC1-methyl-5-methylsulfanyl-4-phenylimidazole
SMILESCSc1c(-c2ccccc2)ncn1C
InChIInChI=1S/C11H12N2S/c1-13-8-12-10(11(13)14-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyVODDRPBYHQIXKP-UHFFFAOYSA-N
MW204.30 g/mol
LogP2.81
Rot. Bonds2

About 1-methyl-5-methylsulfanyl-4-phenylimidazole

1-methyl-5-methylsulfanyl-4-phenylimidazole (PubChem CID 130256791) has the molecular formula C11H12N2S and a molecular weight of 204.30 g/mol. Its IUPAC name is 1-methyl-5-methylsulfanyl-4-phenylimidazole.

Molecular Properties

Compound Name1-methyl-5-methylsulfanyl-4-phenylimidazole
PubChem CID130256791
Molecular FormulaC11H12N2S
Molecular Weight204.30 g/mol
Exact Mass204.07
IUPAC Name1-methyl-5-methylsulfanyl-4-phenylimidazole
SMILESCSc1c(-c2ccccc2)ncn1C
InChIInChI=1S/C11H12N2S/c1-13-8-12-10(11(13)14-2)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKeyVODDRPBYHQIXKP-UHFFFAOYSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylsulfanyl-4-phenylimidazole?
The IUPAC name of 1-methyl-5-methylsulfanyl-4-phenylimidazole (CID 130256791) is 1-methyl-5-methylsulfanyl-4-phenylimidazole.
What is the SMILES notation for 1-methyl-5-methylsulfanyl-4-phenylimidazole?
The canonical SMILES for 1-methyl-5-methylsulfanyl-4-phenylimidazole is CSc1c(-c2ccccc2)ncn1C.
What is the InChIKey of 1-methyl-5-methylsulfanyl-4-phenylimidazole?
The InChIKey is VODDRPBYHQIXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S/c1-13-8-12-10(11(13)14-2)9-6-4-3-5-7-9/h3-8H,1-2H3.
What are the key properties of 1-methyl-5-methylsulfanyl-4-phenylimidazole?
1-methyl-5-methylsulfanyl-4-phenylimidazole has a molecular weight of 204.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-methylsulfanyl-4-phenylimidazole is sourced from PubChem (CID 130256791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).