4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine

C18H25N3O — CID 82463603

IUPAC4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
SMILESCCCCOc1ccc(-c2ncc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C18H25N3O/c1-2-3-12-22-16-6-4-15(5-7-16)18-20-13-17(21-18)14-8-10-19-11-9-14/h4-7,13-14,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyNBOSMLLNSOSWAA-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.72
Rot. Bonds6

About 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine

4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine (PubChem CID 82463603) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
PubChem CID82463603
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine
SMILESCCCCOc1ccc(-c2ncc(C3CCNCC3)[nH]2)cc1
InChIInChI=1S/C18H25N3O/c1-2-3-12-22-16-6-4-15(5-7-16)18-20-13-17(21-18)14-8-10-19-11-9-14/h4-7,13-14,19H,2-3,8-12H2,1H3,(H,20,21)
InChIKeyNBOSMLLNSOSWAA-UHFFFAOYSA-N
XLogP3.72
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.72
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-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]piperidine
CID 82463539
4-(4-octoxyphenyl)piperidine
CID 90176821
[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82463581
4-[2-(4-butylphenoxy)ethyl]piperidine
CID 115492732
4-(4-ethoxyphenyl)piperidine
CID 21495191
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]piperidine;pentanoic acid
CID 160800300
(5R)-5-methyl-2-(4-octoxyphenyl)-4,5-dihydro-1H-imidazole
CID 124676704
6-(4-butoxyphenyl)-1H-1,3,5-triazine-2,4-dione
CID 175078221
5-(4-butoxyphenyl)-1,2-dihydro-1,2,4-triazole-3-thione
CID 2214914
4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
2-(4-butoxyphenyl)-3H-imidazo[4,5-c]pyridine;hydrochloride
CID 13450790
2-(4-octoxyphenyl)-4,5-diphenyl-1H-imidazole
CID 4148530

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine?
The IUPAC name of 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine (CID 82463603) is 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine.
What is the SMILES notation for 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine?
The canonical SMILES for 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine is CCCCOc1ccc(-c2ncc(C3CCNCC3)[nH]2)cc1.
What is the InChIKey of 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine?
The InChIKey is NBOSMLLNSOSWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-2-3-12-22-16-6-4-15(5-7-16)18-20-13-17(21-18)14-8-10-19-11-9-14/h4-7,13-14,19H,2-3,8-12H2,1H3,(H,20,21).
What are the key properties of 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine?
4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine has a molecular weight of 299.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-butoxyphenyl)-1H-imidazol-5-yl]piperidine is sourced from PubChem (CID 82463603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).