4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine

C24H27Cl2N3O — CID 11619174

IUPAC4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine
SMILESCc1[nH]c(-c2ccc(OCCCC3CCNCC3)cc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2N3O/c1-16-23(18-4-6-19(25)7-5-18)29-24(28-16)21-9-8-20(15-22(21)26)30-14-2-3-17-10-12-27-13-11-17/h4-9,15,17,27H,2-3,10-14H2,1H3,(H,28,29)
InChIKeyCUADEYRLQBPWLW-UHFFFAOYSA-N
MW444.41 g/mol
LogP6.52
Rot. Bonds7

About 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine

4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine (PubChem CID 11619174) has the molecular formula C24H27Cl2N3O and a molecular weight of 444.41 g/mol. Its IUPAC name is 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine.

Molecular Properties

Compound Name4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine
PubChem CID11619174
Molecular FormulaC24H27Cl2N3O
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC Name4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine
SMILESCc1[nH]c(-c2ccc(OCCCC3CCNCC3)cc2Cl)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C24H27Cl2N3O/c1-16-23(18-4-6-19(25)7-5-18)29-24(28-16)21-9-8-20(15-22(21)26)30-14-2-3-17-10-12-27-13-11-17/h4-9,15,17,27H,2-3,10-14H2,1H3,(H,28,29)
InChIKeyCUADEYRLQBPWLW-UHFFFAOYSA-N
XLogP6.52
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 56.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-5-methyl-2-[4-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenyl]-1H-imidazole
CID 171548879
4-[3-(4-bromo-3-methylphenoxy)propyl]piperidine
CID 170313042
1-methyl-4-[3-[3-phenyl-4-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]propyl]piperidine
CID 67436582
4-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine
CID 141152899
4-[2-(4-propan-2-ylphenoxy)ethyl]piperidine
CID 29077906
N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 60866945
2-[2-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-5-fluoro-4-methyl-1H-benzimidazole
CID 11395949
4-(4-chlorophenyl)-5-methyl-2-thiophen-3-yl-1H-imidazole
CID 71061934
N-(1,3-dihydroxypropan-2-yl)-2-methyl-4-(3-piperidin-4-ylpropoxy)benzamide
CID 70666352
2-[2-chloro-4-(4-piperidin-4-ylbutoxy)phenyl]-1-(3-methoxyazetidin-1-yl)ethanone
CID 123284650
6-(4-hydroxyphenyl)-5-[[4-(3-piperidin-4-ylpropoxy)phenyl]methyl]naphthalen-2-ol
CID 18675935
2-bromo-4-(4-chlorophenyl)-5-methyl-1H-imidazole
CID 83664346

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
The IUPAC name of 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine (CID 11619174) is 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine.
What is the SMILES notation for 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
The canonical SMILES for 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine is Cc1[nH]c(-c2ccc(OCCCC3CCNCC3)cc2Cl)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
The InChIKey is CUADEYRLQBPWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N3O/c1-16-23(18-4-6-19(25)7-5-18)29-24(28-16)21-9-8-20(15-22(21)26)30-14-2-3-17-10-12-27-13-11-17/h4-9,15,17,27H,2-3,10-14H2,1H3,(H,28,29).
What are the key properties of 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine?
4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine has a molecular weight of 444.41 g/mol, XLogP of 6.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-chloro-4-[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]phenoxy]propyl]piperidine is sourced from PubChem (CID 11619174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).