1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone

C19H18N2OS — CID 33299321

IUPAC1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1
InChIInChI=1S/C19H18N2OS/c1-14-7-9-16(10-8-14)18(22)13-23-19-20-11-12-21(19)17-6-4-3-5-15(17)2/h3-12H,13H2,1-2H3
InChIKeyWBSPSMGATGNTTJ-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.46
Rot. Bonds5

About 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone

1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 33299321) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID33299321
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC Name1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1
InChIInChI=1S/C19H18N2OS/c1-14-7-9-16(10-8-14)18(22)13-23-19-20-11-12-21(19)17-6-4-3-5-15(17)2/h3-12H,13H2,1-2H3
InChIKeyWBSPSMGATGNTTJ-UHFFFAOYSA-N
XLogP4.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanoic acid
CID 82133298
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
N-[2-[4-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]ethyl]acetamide
CID 33290464
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
N-methyl-4-[[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]methyl]benzamide
CID 55428428
N-(4-methylcyclohexyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 39756642
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
2-[[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797782
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7870886
N-(3-cyanothiophen-2-yl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 17448336
1-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 39754957

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone (CID 33299321) is 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone is Cc1ccc(C(=O)CSc2nccn2-c2ccccc2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is WBSPSMGATGNTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-14-7-9-16(10-8-14)18(22)13-23-19-20-11-12-21(19)17-6-4-3-5-15(17)2/h3-12H,13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone?
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 322.43 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 33299321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).