(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone

C20H20N2OS — CID 40529204

IUPAC(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)[C@H](Sc2nccn2C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2OS/c1-14-4-8-16(9-5-14)18(23)19(17-10-6-15(2)7-11-17)24-20-21-12-13-22(20)3/h4-13,19H,1-3H3/t19-/m1/s1
InChIKeyAZTYBMRKSDQBDL-LJQANCHMSA-N
MW336.46 g/mol
LogP4.75
Rot. Bonds5

About (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone

(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone (PubChem CID 40529204) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone.

Molecular Properties

Compound Name(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone
PubChem CID40529204
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)[C@H](Sc2nccn2C)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N2OS/c1-14-4-8-16(9-5-14)18(23)19(17-10-6-15(2)7-11-17)24-20-21-12-13-22(20)3/h4-13,19H,1-3H3/t19-/m1/s1
InChIKeyAZTYBMRKSDQBDL-LJQANCHMSA-N
XLogP4.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(1-methylimidazol-2-yl)sulfanyl-2-phenylacetamide
CID 94017809
(2R)-1-(4-chlorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 51681969
(2R)-1-(4-bromophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 40529347
(2S)-2-(1-methylimidazol-2-yl)sulfanyl-N-(4-methylphenyl)propanamide
CID 40529199
(2S)-1,2-bis(4-methylphenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2406345
(2S)-1,2-bis(4-methylphenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 7865405
2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 112782350
ethyl 2-[5-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate
CID 9387443
1-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylphenyl)butan-2-amine
CID 55015176
(2S)-2-[(4-cyclopropyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-bis(4-methylphenyl)ethanone
CID 41182839
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone
CID 7171382
1-(3,4-difluorophenyl)-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 43412464

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone?
The IUPAC name of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone (CID 40529204) is (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone.
What is the SMILES notation for (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone?
The canonical SMILES for (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone is Cc1ccc(C(=O)[C@H](Sc2nccn2C)c2ccc(C)cc2)cc1.
What is the InChIKey of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone?
The InChIKey is AZTYBMRKSDQBDL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-4-8-16(9-5-14)18(23)19(17-10-6-15(2)7-11-17)24-20-21-12-13-22(20)3/h4-13,19H,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone?
(2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone has a molecular weight of 336.46 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-methylimidazol-2-yl)sulfanyl-1,2-bis(4-methylphenyl)ethanone is sourced from PubChem (CID 40529204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).