1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine

C34H40N4O2 — CID 10578286

IUPAC1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine
SMILESCC1(CCCCN2CCN(c3ccccc3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C34H40N4O2/c1-34(19-11-12-20-37-21-23-38(24-22-37)29-17-9-4-10-18-29)25-39-33(40-26-34)32-35-30(27-13-5-2-6-14-27)31(36-32)28-15-7-3-8-16-28/h2-10,13-18,33H,11-12,19-26H2,1H3,(H,35,36)
InChIKeyRMZQGAZJVLSOER-UHFFFAOYSA-N
MW536.72 g/mol
LogP6.79
Rot. Bonds9

About 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine

1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine (PubChem CID 10578286) has the molecular formula C34H40N4O2 and a molecular weight of 536.72 g/mol. Its IUPAC name is 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine
PubChem CID10578286
Molecular FormulaC34H40N4O2
Molecular Weight536.72 g/mol
Exact Mass536.32
IUPAC Name1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine
SMILESCC1(CCCCN2CCN(c3ccccc3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1
InChIInChI=1S/C34H40N4O2/c1-34(19-11-12-20-37-21-23-38(24-22-37)29-17-9-4-10-18-29)25-39-33(40-26-34)32-35-30(27-13-5-2-6-14-27)31(36-32)28-15-7-3-8-16-28/h2-10,13-18,33H,11-12,19-26H2,1H3,(H,35,36)
InChIKeyRMZQGAZJVLSOER-UHFFFAOYSA-N
XLogP6.79
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.72
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine with MolForge

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Related Compounds

[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-(hydroxymethyl)-1,3-dioxan-5-yl]methanol
CID 10832716
4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
CID 154445792
5,5-dimethyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-oxazolidine-2,4-dione
CID 86293406
4-[2-(1-ethylpiperidin-4-yl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 70998364
6,6-dimethyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride
CID 3053458
[2-[5-[2-(4-fluoroanilino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]methanol
CID 22254941
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-phenyl-1,3-thiazol-2-amine
CID 19982248
[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-pyrrolidin-1-ylmethanone
CID 22255208
4-methyl-2-[3-(4-phenylpiperazin-1-yl)propylsulfanyl]-1H-pyrimidin-6-one
CID 135985971
3,3-diethyl-5-[4-(4-phenylpiperazin-1-yl)butyl]oxolan-2-one
CID 162368702
5-methyl-3-[5-(4-phenylpiperazin-1-yl)pentyl]-1,2-oxazole
CID 142390486
N-benzyl-2-[4-(4-fluorophenyl)-5-(2-morpholin-4-ylpyrimidin-4-yl)-1H-imidazol-2-yl]-5-methyl-1,3-dioxane-5-carboxamide
CID 54303106

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine?
The IUPAC name of 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine (CID 10578286) is 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine?
The canonical SMILES for 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine is CC1(CCCCN2CCN(c3ccccc3)CC2)COC(c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)OC1.
What is the InChIKey of 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine?
The InChIKey is RMZQGAZJVLSOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N4O2/c1-34(19-11-12-20-37-21-23-38(24-22-37)29-17-9-4-10-18-29)25-39-33(40-26-34)32-35-30(27-13-5-2-6-14-27)31(36-32)28-15-7-3-8-16-28/h2-10,13-18,33H,11-12,19-26H2,1H3,(H,35,36).
What are the key properties of 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine?
1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine has a molecular weight of 536.72 g/mol, XLogP of 6.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(4,5-diphenyl-1H-imidazol-2-yl)-5-methyl-1,3-dioxan-5-yl]butyl]-4-phenylpiperazine is sourced from PubChem (CID 10578286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).