N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

C25H21Cl2N3OS — CID 4967818

IUPACN-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3OS/c1-17-6-2-5-9-22(17)30-23(18-10-12-20(26)13-11-18)15-29-25(30)32-16-24(31)28-14-19-7-3-4-8-21(19)27/h2-13,15H,14,16H2,1H3,(H,28,31)
InChIKeyPIKIVICVFMCKBV-UHFFFAOYSA-N
MW482.44 g/mol
LogP6.56
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide

N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 4967818) has the molecular formula C25H21Cl2N3OS and a molecular weight of 482.44 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID4967818
Molecular FormulaC25H21Cl2N3OS
Molecular Weight482.44 g/mol
Exact Mass481.08
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccccc1Cl
InChIInChI=1S/C25H21Cl2N3OS/c1-17-6-2-5-9-22(17)30-23(18-10-12-20(26)13-11-18)15-29-25(30)32-16-24(31)28-14-19-7-3-4-8-21(19)27/h2-13,15H,14,16H2,1H3,(H,28,31)
InChIKeyPIKIVICVFMCKBV-UHFFFAOYSA-N
XLogP6.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide (CID 4967818) is N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is PIKIVICVFMCKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N3OS/c1-17-6-2-5-9-22(17)30-23(18-10-12-20(26)13-11-18)15-29-25(30)32-16-24(31)28-14-19-7-3-4-8-21(19)27/h2-13,15H,14,16H2,1H3,(H,28,31).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 482.44 g/mol, XLogP of 6.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[5-(4-chlorophenyl)-1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 4967818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).