(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

C12H14N2O2S — CID 3413160

IUPAC(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SC)c1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-3-4-9(8-10)11(15)14-7-6-13-12(14)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyKNHHMCGWOGEBNO-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.87
Rot. Bonds2

About (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone

(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (PubChem CID 3413160) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
PubChem CID3413160
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone
SMILESCOc1cccc(C(=O)N2CCN=C2SC)c1
InChIInChI=1S/C12H14N2O2S/c1-16-10-5-3-4-9(8-10)11(15)14-7-6-13-12(14)17-2/h3-5,8H,6-7H2,1-2H3
InChIKeyKNHHMCGWOGEBNO-UHFFFAOYSA-N
XLogP1.87
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Stk520326
CID 924650
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(propan-2-yloxy)benzamide
CID 955794
3-(difluoromethoxy)-N-(4,5-dihydrothiazol-2-yl)benzamide
CID 2676787
3-(difluoromethoxy)-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide
CID 4858821
(4-methoxyphenyl)(2-(methylthio)-4,5-dihydro-1H-imidazol-1-yl)methanone
CID 5024635
Benzamide, 3-methoxy-N-(5-oxo-6-trifluoromethyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazol-6-yl)-
CID 663737
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 669435
N-(4,5-dihydro-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 2460037
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-methoxybenzamide
CID 44443142
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)-3-(trifluoromethoxy)benzamide
CID 44443143
Pyrrolidine, 1-(3-methoxybenzoyl)-
CID 786913
(3-Methoxyphenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 717183

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone (CID 3413160) is (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is COc1cccc(C(=O)N2CCN=C2SC)c1.
What is the InChIKey of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
The InChIKey is KNHHMCGWOGEBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-16-10-5-3-4-9(8-10)11(15)14-7-6-13-12(14)17-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone?
(3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone has a molecular weight of 250.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)methanone is sourced from PubChem (CID 3413160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).