(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

C20H20N4OS — CID 46652337

IUPAC(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
SMILESO=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4OS/c25-19(18-15-21-20(26)24(18)17-9-5-2-6-10-17)23-13-11-22(12-14-23)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,21,26)
InChIKeyBZHQMBYKDDNYSB-UHFFFAOYSA-N
MW364.47 g/mol
LogP3.50
Rot. Bonds3

About (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone

(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone (PubChem CID 46652337) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
PubChem CID46652337
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
SMILESO=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4OS/c25-19(18-15-21-20(26)24(18)17-9-5-2-6-10-17)23-13-11-22(12-14-23)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,21,26)
InChIKeyBZHQMBYKDDNYSB-UHFFFAOYSA-N
XLogP3.50
TPSA44.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
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2-(1H-indol-3-yl)-1-[4-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)piperazin-1-yl]ethanone
CID 55860738
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 34234262
methyl 2-(2-chlorophenyl)-2-[4-(3-phenyl-2-sulfanylidene-1H-imidazole-4-carbonyl)piperazin-1-yl]acetate
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5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
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bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
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3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]thiazin-1-yl-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone
CID 102560081
N-(1-cyclopropylethyl)-3-phenyl-2-sulfanylidene-1H-imidazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone (CID 46652337) is (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone is O=C(c1c[nH]c(=S)n1-c1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
The InChIKey is BZHQMBYKDDNYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c25-19(18-15-21-20(26)24(18)17-9-5-2-6-10-17)23-13-11-22(12-14-23)16-7-3-1-4-8-16/h1-10,15H,11-14H2,(H,21,26).
What are the key properties of (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone?
(4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone has a molecular weight of 364.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(3-phenyl-2-sulfanylidene-1H-imidazol-4-yl)methanone is sourced from PubChem (CID 46652337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).