4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide

C17H15N3OS — CID 35040288

IUPAC4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H15N3OS/c18-16(21)14-8-6-12(7-9-14)11-22-17-19-10-15(20-17)13-4-2-1-3-5-13/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyKAQGNPNALDKUJU-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.47
Rot. Bonds5

About 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide

4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide (PubChem CID 35040288) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide.

Molecular Properties

Compound Name4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide
PubChem CID35040288
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide
SMILESNC(=O)c1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C17H15N3OS/c18-16(21)14-8-6-12(7-9-14)11-22-17-19-10-15(20-17)13-4-2-1-3-5-13/h1-10H,11H2,(H2,18,21)(H,19,20)
InChIKeyKAQGNPNALDKUJU-UHFFFAOYSA-N
XLogP3.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[1-[5-(4-carbamimidoylphenyl)-1H-imidazol-2-yl]-2-phenylethyl]-1H-imidazol-5-yl]benzamide
CID 77106448
5-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]pentan-2-one
CID 47163722
2-(naphthalen-1-ylmethylsulfanyl)-5-phenyl-1H-imidazole
CID 588118
1-(azetidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]ethanone
CID 39044468
2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 25495577
N-(2-phenylethyl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 16896830
2-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]quinoxaline
CID 70096506
2-benzylsulfanyl-5-chloro-1H-imidazole
CID 141002774
4-[(2-chlorophenyl)sulfanylmethyl]benzamide
CID 27312045
2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]acetamide
CID 860011
1-phenyl-5-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]tetrazole
CID 35040145
2-[(4-carbamoylphenyl)methylsulfanyl]-1H-benzimidazole-4-carboxamide
CID 46214081

Frequently Asked Questions

What is the IUPAC name of 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide?
The IUPAC name of 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide (CID 35040288) is 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide.
What is the SMILES notation for 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide?
The canonical SMILES for 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide is NC(=O)c1ccc(CSc2ncc(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide?
The InChIKey is KAQGNPNALDKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c18-16(21)14-8-6-12(7-9-14)11-22-17-19-10-15(20-17)13-4-2-1-3-5-13/h1-10H,11H2,(H2,18,21)(H,19,20).
What are the key properties of 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide?
4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide has a molecular weight of 309.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-phenyl-1H-imidazol-2-yl)sulfanylmethyl]benzamide is sourced from PubChem (CID 35040288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).