2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone

C12H12N2O2S — CID 125483540

IUPAC2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone
SMILESCn1ccnc1[S@](=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-14-8-7-13-12(14)17(16)9-11(15)10-5-3-2-4-6-10/h2-8H,9H2,1H3/t17-/m1/s1
InChIKeyUNWOKRHBIJNVKR-QGZVFWFLSA-N
MW248.31 g/mol
LogP1.41
Rot. Bonds4

About 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone

2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone (PubChem CID 125483540) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone
PubChem CID125483540
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC Name2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone
SMILESCn1ccnc1[S@](=O)CC(=O)c1ccccc1
InChIInChI=1S/C12H12N2O2S/c1-14-8-7-13-12(14)17(16)9-11(15)10-5-3-2-4-6-10/h2-8H,9H2,1H3/t17-/m1/s1
InChIKeyUNWOKRHBIJNVKR-QGZVFWFLSA-N
XLogP1.41
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-pyridin-2-ylsulfinylethanone
CID 11032138
3-(2-ethylimidazol-1-yl)-1-phenylpropan-1-one
CID 116691859
(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 94796321
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-4-oxo-4-phenylbutanamide
CID 125176121
methyl (3R,4R)-3-methyl-4-[(S)-(1-methylimidazol-2-yl)sulfinyl]-5-phenylpentanoate
CID 11244541
methyl (3S,4S)-3-methyl-4-(1-methylimidazol-2-yl)sulfinyl-5-phenylpentanoate
CID 102242972
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037
2-methyl-4-(1-methylimidazol-2-yl)-1-phenylbutan-1-one
CID 114528615
4-(4-bromophenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-oxobutanamide
CID 31357215
(1-methylimidazol-2-yl)-naphthalen-2-ylmethanone
CID 60660061
2-(3-methylphenyl)sulfinyl-1-phenylethanone
CID 64639967
4-(1-methylimidazol-2-yl)-4-oxobutanoic acid
CID 80503766

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone?
The IUPAC name of 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone (CID 125483540) is 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone.
What is the SMILES notation for 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone?
The canonical SMILES for 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone is Cn1ccnc1[S@](=O)CC(=O)c1ccccc1.
What is the InChIKey of 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone?
The InChIKey is UNWOKRHBIJNVKR-QGZVFWFLSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-14-8-7-13-12(14)17(16)9-11(15)10-5-3-2-4-6-10/h2-8H,9H2,1H3/t17-/m1/s1.
What are the key properties of 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone?
2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone has a molecular weight of 248.31 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(1-methylimidazol-2-yl)sulfinyl]-1-phenylethanone is sourced from PubChem (CID 125483540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).