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

C25H23N3OS — CID 28633540

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1
InChIInChI=1S/C25H23N3OS/c1-19-6-12-23(13-7-19)30-17-20-8-10-21(11-9-20)25(29)27-16-22-4-2-3-5-24(22)28-15-14-26-18-28/h2-15,18H,16-17H2,1H3,(H,27,29)
InChIKeyMUWVBPPQRXQKTF-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.40
Rot. Bonds7

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

N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (PubChem CID 28633540) has the molecular formula C25H23N3OS and a molecular weight of 413.55 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
PubChem CID28633540
Molecular FormulaC25H23N3OS
Molecular Weight413.55 g/mol
Exact Mass413.16
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
SMILESCc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1
InChIInChI=1S/C25H23N3OS/c1-19-6-12-23(13-7-19)30-17-20-8-10-21(11-9-20)25(29)27-16-22-4-2-3-5-24(22)28-15-14-26-18-28/h2-15,18H,16-17H2,1H3,(H,27,29)
InChIKeyMUWVBPPQRXQKTF-UHFFFAOYSA-N
XLogP5.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chlorophenyl)sulfanylmethyl]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 43908168
N-[(2-chlorophenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide
CID 5127187
N-[(2-imidazol-1-ylphenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 92680681
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 30390230
2-(2,5-dimethylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 46771389
N-[(2-imidazol-1-ylphenyl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 131924662
4-[dimethylsulfamoyl(methyl)amino]-N-[(2-imidazol-1-ylphenyl)methyl]benzamide
CID 46772327
2-(4-chlorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 92680055
N-[(2-imidazol-1-ylphenyl)methyl]-3-phenylsulfanylpropanamide
CID 92680048
N-[(2-imidazol-1-ylphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 46771026
1-[2-(4-chlorophenyl)sulfanylethyl]-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 60580594
N-(2-imidazol-1-ylphenyl)-4-methylbenzamide
CID 12911544

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide (CID 28633540) is N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3ccnc3)cc2)cc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
The InChIKey is MUWVBPPQRXQKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3OS/c1-19-6-12-23(13-7-19)30-17-20-8-10-21(11-9-20)25(29)27-16-22-4-2-3-5-24(22)28-15-14-26-18-28/h2-15,18H,16-17H2,1H3,(H,27,29).
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide?
N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide has a molecular weight of 413.55 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-4-[(4-methylphenyl)sulfanylmethyl]benzamide is sourced from PubChem (CID 28633540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).