4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine

C17H21N3 — CID 107489986

IUPAC4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(-c2cncn2CCC2=CCNCC2)cc1
InChIInChI=1S/C17H21N3/c1-14-2-4-16(5-3-14)17-12-19-13-20(17)11-8-15-6-9-18-10-7-15/h2-6,12-13,18H,7-11H2,1H3
InChIKeyRFNWFYUYQMFPHZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.17
Rot. Bonds4

About 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine

4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine (PubChem CID 107489986) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine
PubChem CID107489986
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine
SMILESCc1ccc(-c2cncn2CCC2=CCNCC2)cc1
InChIInChI=1S/C17H21N3/c1-14-2-4-16(5-3-14)17-12-19-13-20(17)11-8-15-6-9-18-10-7-15/h2-6,12-13,18H,7-11H2,1H3
InChIKeyRFNWFYUYQMFPHZ-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(5-cyclopropylimidazol-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107490004
4-methyl-4-[5-(4-methylphenyl)imidazol-1-yl]piperidine
CID 114697612
4-[(5-cyclohexylimidazol-1-yl)methyl]-1,2,3,6-tetrahydropyridine
CID 114694815
4-[2-(2-methylazetidin-1-yl)ethyl]-1,2,3,6-tetrahydropyridine
CID 107489783
5-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-5-azaspiro[2.3]hexane
CID 107489730
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
1,3-dimethyl-4-nitro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrazol-5-amine
CID 107489215
5-[3-(2-methylsulfanylethyl)imidazol-4-yl]pyridin-2-amine
CID 114720404
N-methyl-3-(5-phenylimidazol-1-yl)propanamide
CID 58294227
(4-methylphenyl) 1,2,3,6-tetrahydropyridine-4-carboxylate
CID 117125986
4-ethyl-1,2,3,6-tetrahydropyridine
CID 21473622
4-[4-(1-methylpyrazol-4-yl)phenyl]-1,2,3,6-tetrahydropyridine
CID 118144094

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine (CID 107489986) is 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine is Cc1ccc(-c2cncn2CCC2=CCNCC2)cc1.
What is the InChIKey of 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine?
The InChIKey is RFNWFYUYQMFPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-14-2-4-16(5-3-14)17-12-19-13-20(17)11-8-15-6-9-18-10-7-15/h2-6,12-13,18H,7-11H2,1H3.
What are the key properties of 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine?
4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine has a molecular weight of 267.38 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(4-methylphenyl)imidazol-1-yl]ethyl]-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 107489986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).