N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide

C24H20ClN3OS — CID 4105381

IUPACN-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H20ClN3OS/c1-17-8-7-11-19(14-17)28-15-22(18-9-3-2-4-10-18)27-24(28)30-16-23(29)26-21-13-6-5-12-20(21)25/h2-15H,16H2,1H3,(H,26,29)
InChIKeyZUEQGBZDSRAVNK-UHFFFAOYSA-N
MW433.96 g/mol
LogP6.23
Rot. Bonds6

About N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide

N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (PubChem CID 4105381) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
PubChem CID4105381
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC NameN-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide
SMILESCc1cccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C24H20ClN3OS/c1-17-8-7-11-19(14-17)28-15-22(18-9-3-2-4-10-18)27-24(28)30-16-23(29)26-21-13-6-5-12-20(21)25/h2-15H,16H2,1H3,(H,26,29)
InChIKeyZUEQGBZDSRAVNK-UHFFFAOYSA-N
XLogP6.23
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide (CID 4105381) is N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is Cc1cccc(-n2cc(-c3ccccc3)nc2SCC(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
The InChIKey is ZUEQGBZDSRAVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c1-17-8-7-11-19(14-17)28-15-22(18-9-3-2-4-10-18)27-24(28)30-16-23(29)26-21-13-6-5-12-20(21)25/h2-15H,16H2,1H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide?
N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide has a molecular weight of 433.96 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[1-(3-methylphenyl)-4-phenylimidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4105381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).