N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide

C24H20ClN3OS — CID 69444262

IUPACN-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
SMILESO=C(NCCSc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1)c1ccccc1
InChIInChI=1S/C24H20ClN3OS/c25-20-13-11-18(12-14-20)22-21(17-7-3-1-4-8-17)27-24(28-22)30-16-15-26-23(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,28)
InChIKeyAFNQKWQIKUVKEF-UHFFFAOYSA-N
MW433.96 g/mol
LogP5.92
Rot. Bonds7

About N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide

N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide (PubChem CID 69444262) has the molecular formula C24H20ClN3OS and a molecular weight of 433.96 g/mol. Its IUPAC name is N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
PubChem CID69444262
Molecular FormulaC24H20ClN3OS
Molecular Weight433.96 g/mol
Exact Mass433.10
IUPAC NameN-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
SMILESO=C(NCCSc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1)c1ccccc1
InChIInChI=1S/C24H20ClN3OS/c25-20-13-11-18(12-14-20)22-21(17-7-3-1-4-8-17)27-24(28-22)30-16-15-26-23(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,28)
InChIKeyAFNQKWQIKUVKEF-UHFFFAOYSA-N
XLogP5.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.96
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-fluorobenzamide
CID 5013327
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2,4-dichlorobenzamide
CID 69443523
N-[2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-phenylacetamide
CID 21104898
N-[2-[[4,5-bis(4-chlorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-4-chlorobenzenesulfonamide
CID 69444393
1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
CID 3672344
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
CID 23861371
N-[2-[(2-phenyl-1H-indol-3-yl)sulfanyl]ethyl]benzamide
CID 2156506
N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
CID 5099566
N-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-4-butylbenzamide
CID 42725781
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-phenylacetamide
CID 1286376
N-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]heptan-1-amine
CID 10408288

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The IUPAC name of N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide (CID 69444262) is N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide.
What is the SMILES notation for N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The canonical SMILES for N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide is O=C(NCCSc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1)c1ccccc1.
What is the InChIKey of N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
The InChIKey is AFNQKWQIKUVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3OS/c25-20-13-11-18(12-14-20)22-21(17-7-3-1-4-8-17)27-24(28-22)30-16-15-26-23(29)19-9-5-2-6-10-19/h1-14H,15-16H2,(H,26,29)(H,27,28).
What are the key properties of N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide?
N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide has a molecular weight of 433.96 g/mol, XLogP of 5.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide is sourced from PubChem (CID 69444262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).