4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one

C12H14N2OS — CID 106952016

IUPAC4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
SMILESCc1ccccc1SCC1=NC(C)C(=O)N1
InChIInChI=1S/C12H14N2OS/c1-8-5-3-4-6-10(8)16-7-11-13-9(2)12(15)14-11/h3-6,9H,7H2,1-2H3,(H,13,14,15)
InChIKeyUEGSHOKJFAWNKD-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.00
Rot. Bonds3

About 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one

4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one (PubChem CID 106952016) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
PubChem CID106952016
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
SMILESCc1ccccc1SCC1=NC(C)C(=O)N1
InChIInChI=1S/C12H14N2OS/c1-8-5-3-4-6-10(8)16-7-11-13-9(2)12(15)14-11/h3-6,9H,7H2,1-2H3,(H,13,14,15)
InChIKeyUEGSHOKJFAWNKD-UHFFFAOYSA-N
XLogP2.00
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952222
2-[(3-Fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952248
2-[(2-Fluorophenyl)sulfanylmethyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952249
2-[(4-Fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953171
2-[(3-Fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953197
2-[(3-fluorophenyl)sulfanylmethyl]-4,4-dimethyl-1H-imidazol-5-one
CID 106953281
4-Ethyl-2-[(4-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
CID 113896777
4-Ethyl-2-[(2-fluorophenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one
CID 113896780
2-[(2-Fluorophenyl)sulfanylmethyl]-4-propyl-1,4-dihydroimidazol-5-one
CID 113896850
2-[(2-Fluorophenyl)sulfanylmethyl]-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 113896935
2-[(4-fluorophenyl)sulfanylmethyl]-4,4-dimethyl-1H-imidazol-5-one
CID 113896982
2-[(2-fluorophenyl)sulfanylmethyl]-4,4-dimethyl-1H-imidazol-5-one
CID 113896985

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one (CID 106952016) is 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one is Cc1ccccc1SCC1=NC(C)C(=O)N1.
What is the InChIKey of 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
The InChIKey is UEGSHOKJFAWNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-8-5-3-4-6-10(8)16-7-11-13-9(2)12(15)14-11/h3-6,9H,7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one?
4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one has a molecular weight of 234.32 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylphenyl)sulfanylmethyl]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106952016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).