2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole

C15H17BrN2 — CID 62719865

IUPAC2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole
SMILESBrC(Cc1ncc[nH]1)C1CCCc2ccccc21
InChIInChI=1S/C15H17BrN2/c16-14(10-15-17-8-9-18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13-14H,3,5,7,10H2,(H,17,18)
InChIKeyPEUJMEODUFCTTC-UHFFFAOYSA-N
MW305.22 g/mol
LogP3.84
Rot. Bonds3

About 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole

2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole (PubChem CID 62719865) has the molecular formula C15H17BrN2 and a molecular weight of 305.22 g/mol. Its IUPAC name is 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole
PubChem CID62719865
Molecular FormulaC15H17BrN2
Molecular Weight305.22 g/mol
Exact Mass304.06
IUPAC Name2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole
SMILESBrC(Cc1ncc[nH]1)C1CCCc2ccccc21
InChIInChI=1S/C15H17BrN2/c16-14(10-15-17-8-9-18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13-14H,3,5,7,10H2,(H,17,18)
InChIKeyPEUJMEODUFCTTC-UHFFFAOYSA-N
XLogP3.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-1H-imidazole
CID 107182298
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 63247593
(2R)-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentane-1,5-diol
CID 165177083
N-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 79824813
6-(1H-imidazol-2-ylsulfanyl)-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 107784035
2-cyclopropyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 64906726
2-(2-bromopropyl)-1H-imidazole
CID 61096377
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
[2-(5-bromo-2-pyridinyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]hydrazine
CID 105218838
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
2-(1-ethylimidazol-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 79751984

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole?
The IUPAC name of 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole (CID 62719865) is 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole is BrC(Cc1ncc[nH]1)C1CCCc2ccccc21.
What is the InChIKey of 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole?
The InChIKey is PEUJMEODUFCTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2/c16-14(10-15-17-8-9-18-15)13-7-3-5-11-4-1-2-6-12(11)13/h1-2,4,6,8-9,13-14H,3,5,7,10H2,(H,17,18).
What are the key properties of 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole?
2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole has a molecular weight of 305.22 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1H-imidazole is sourced from PubChem (CID 62719865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).