4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

C24H20ClN3OS — CID 43908168

IUPAC4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3OS/c25-21-9-11-22(12-10-21)30-16-18-5-7-19(8-6-18)24(29)27-15-20-3-1-2-4-23(20)28-14-13-26-17-28/h1-14,17H,15-16H2,(H,27,29)
InChIKeyLHRMHNZDGOLFII-UHFFFAOYSA-N
MW433.96 g/mol
LogP5.75
Rot. Bonds7

About 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide

4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (PubChem CID 43908168) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
PubChem CID43908168
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC Name4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
SMILESO=C(NCc1ccccc1-n1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H20ClN3OS/c25-21-9-11-22(12-10-21)30-16-18-5-7-19(8-6-18)24(29)27-15-20-3-1-2-4-23(20)28-14-13-26-17-28/h1-14,17H,15-16H2,(H,27,29)
InChIKeyLHRMHNZDGOLFII-UHFFFAOYSA-N
XLogP5.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 28633540
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 92671763
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
4-[[N-(benzenesulfonyl)-5-chloro-2-methylanilino]methyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46773015
4-chloro-N-[(2-imidazol-1-ylphenyl)methyl]-3-nitrobenzamide
CID 30378175
3,4-difluoro-N-[2-[(2-imidazol-1-ylphenyl)methylamino]-2-oxoethyl]benzamide
CID 136578908
2-[(3,4-dichlorophenyl)methylsulfanyl]-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92686269
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 5127187

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide (CID 43908168) is 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is O=C(NCc1ccccc1-n1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
The InChIKey is LHRMHNZDGOLFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c25-21-9-11-22(12-10-21)30-16-18-5-7-19(8-6-18)24(29)27-15-20-3-1-2-4-23(20)28-14-13-26-17-28/h1-14,17H,15-16H2,(H,27,29).
What are the key properties of 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide?
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide has a molecular weight of 433.96 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 43908168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).