1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone

C20H20ClN3OS — CID 72725229

IUPAC1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(Nn2c(SCC(=O)c3cccc(Cl)c3)nc(C)c2C)cc1
InChIInChI=1S/C20H20ClN3OS/c1-13-7-9-18(10-8-13)23-24-15(3)14(2)22-20(24)26-12-19(25)16-5-4-6-17(21)11-16/h4-11,23H,12H2,1-3H3
InChIKeyDDARSAOUXAQEID-UHFFFAOYSA-N
MW385.92 g/mol
LogP5.31
Rot. Bonds6

About 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone

1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone (PubChem CID 72725229) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
PubChem CID72725229
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone
SMILESCc1ccc(Nn2c(SCC(=O)c3cccc(Cl)c3)nc(C)c2C)cc1
InChIInChI=1S/C20H20ClN3OS/c1-13-7-9-18(10-8-13)23-24-15(3)14(2)22-20(24)26-12-19(25)16-5-4-6-17(21)11-16/h4-11,23H,12H2,1-3H3
InChIKeyDDARSAOUXAQEID-UHFFFAOYSA-N
XLogP5.31
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.92
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone (CID 72725229) is 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone is Cc1ccc(Nn2c(SCC(=O)c3cccc(Cl)c3)nc(C)c2C)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
The InChIKey is DDARSAOUXAQEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c1-13-7-9-18(10-8-13)23-24-15(3)14(2)22-20(24)26-12-19(25)16-5-4-6-17(21)11-16/h4-11,23H,12H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone?
1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone has a molecular weight of 385.92 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-[4,5-dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 72725229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).