1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine

C29H34N4O2S — CID 135151624

IUPAC1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
SMILESCCCCCCN1CCN(S(=O)(=O)c2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C29H34N4O2S/c1-2-3-4-10-17-32-18-19-33(36(34,35)26-13-6-5-7-14-26)28(22-32)29-30-21-27(31-29)25-16-15-23-11-8-9-12-24(23)20-25/h5-9,11-16,20-21,28H,2-4,10,17-19,22H2,1H3,(H,30,31)
InChIKeyCDVFOAVULRLEPY-UHFFFAOYSA-N
MW502.68 g/mol
LogP5.86
Rot. Bonds9

About 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine

1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine (PubChem CID 135151624) has the molecular formula C29H34N4O2S and a molecular weight of 502.68 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
PubChem CID135151624
Molecular FormulaC29H34N4O2S
Molecular Weight502.68 g/mol
Exact Mass502.24
IUPAC Name1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine
SMILESCCCCCCN1CCN(S(=O)(=O)c2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1
InChIInChI=1S/C29H34N4O2S/c1-2-3-4-10-17-32-18-19-33(36(34,35)26-13-6-5-7-14-26)28(22-32)29-30-21-27(31-29)25-16-15-23-11-8-9-12-24(23)20-25/h5-9,11-16,20-21,28H,2-4,10,17-19,22H2,1H3,(H,30,31)
InChIKeyCDVFOAVULRLEPY-UHFFFAOYSA-N
XLogP5.86
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.68
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[4-ethyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 155796150
1-[4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-(5-hydroxy-1H-indol-3-yl)ethanone
CID 155796428
6-[4-benzyl-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-ol
CID 135151596
6-[3-(5-naphthalen-2-yl-1H-imidazol-2-yl)-4-[3-(1H-pyrazol-4-yl)propanoyl]piperazin-1-yl]hexan-3-one
CID 155796366
6-[4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]hexan-3-one
CID 135151448
4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)-5-oxopiperazine-1-carboxylic acid
CID 135151525
benzyl 4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine-1-carboxylate
CID 155796420
1-[4-methyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 155796280
1-[4-methyl-2-[5-(1-methylindazol-5-yl)-1H-imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 155796185
2-[(2S,5S)-5-methylpyrrolidin-2-yl]-5-naphthalen-2-yl-1H-imidazole
CID 141299520
2-phenyl-1-[(3R)-3-[[[5-[6-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]pyrimidin-2-yl]amino]methyl]pyrrolidin-1-yl]ethanone
CID 51036231
1-[1-(benzenesulfonyl)-3-naphthalen-2-ylaziridin-2-yl]nonan-1-one
CID 85172515

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine (CID 135151624) is 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine is CCCCCCN1CCN(S(=O)(=O)c2ccccc2)C(c2ncc(-c3ccc4ccccc4c3)[nH]2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine?
The InChIKey is CDVFOAVULRLEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2S/c1-2-3-4-10-17-32-18-19-33(36(34,35)26-13-6-5-7-14-26)28(22-32)29-30-21-27(31-29)25-16-15-23-11-8-9-12-24(23)20-25/h5-9,11-16,20-21,28H,2-4,10,17-19,22H2,1H3,(H,30,31).
What are the key properties of 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine?
1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine has a molecular weight of 502.68 g/mol, XLogP of 5.86, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-hexyl-2-(5-naphthalen-2-yl-1H-imidazol-2-yl)piperazine is sourced from PubChem (CID 135151624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).