2-butyl-1-(2-phenylmethoxyethyl)imidazole

C16H22N2O — CID 174504062

IUPAC2-butyl-1-(2-phenylmethoxyethyl)imidazole
SMILESCCCCc1nccn1CCOCc1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-3-9-16-17-10-11-18(16)12-13-19-14-15-7-5-4-6-8-15/h4-8,10-11H,2-3,9,12-14H2,1H3
InChIKeyXIBBTAZZFVGUNA-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.44
Rot. Bonds8

About 2-butyl-1-(2-phenylmethoxyethyl)imidazole

2-butyl-1-(2-phenylmethoxyethyl)imidazole (PubChem CID 174504062) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-butyl-1-(2-phenylmethoxyethyl)imidazole.

Molecular Properties

Compound Name2-butyl-1-(2-phenylmethoxyethyl)imidazole
PubChem CID174504062
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-butyl-1-(2-phenylmethoxyethyl)imidazole
SMILESCCCCc1nccn1CCOCc1ccccc1
InChIInChI=1S/C16H22N2O/c1-2-3-9-16-17-10-11-18(16)12-13-19-14-15-7-5-4-6-8-15/h4-8,10-11H,2-3,9,12-14H2,1H3
InChIKeyXIBBTAZZFVGUNA-UHFFFAOYSA-N
XLogP3.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-octylimidazole
CID 70491727
1-(3-phenylmethoxypropyl)imidazol-2-amine
CID 165466096
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790
2-[1-(phenylmethoxymethyl)imidazol-2-yl]ethanamine
CID 102940394
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1,2-di(pentadecyl)imidazole
CID 69388452
2-butyl-1-(2-phenylmethoxyethyl)imidazo[4,5-c]quinoline
CID 22254436
2-butyl-1-ethylimidazole;hydrochloride
CID 173083631
[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]imidazol-2-yl]methanamine
CID 104565415
butoxymethylbenzene;ethane
CID 145341806
4-[1-(2-ethoxyethyl)imidazol-2-yl]-N,N-dimethylbutan-1-amine
CID 57144402

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-(2-phenylmethoxyethyl)imidazole?
The IUPAC name of 2-butyl-1-(2-phenylmethoxyethyl)imidazole (CID 174504062) is 2-butyl-1-(2-phenylmethoxyethyl)imidazole.
What is the SMILES notation for 2-butyl-1-(2-phenylmethoxyethyl)imidazole?
The canonical SMILES for 2-butyl-1-(2-phenylmethoxyethyl)imidazole is CCCCc1nccn1CCOCc1ccccc1.
What is the InChIKey of 2-butyl-1-(2-phenylmethoxyethyl)imidazole?
The InChIKey is XIBBTAZZFVGUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-3-9-16-17-10-11-18(16)12-13-19-14-15-7-5-4-6-8-15/h4-8,10-11H,2-3,9,12-14H2,1H3.
What are the key properties of 2-butyl-1-(2-phenylmethoxyethyl)imidazole?
2-butyl-1-(2-phenylmethoxyethyl)imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-(2-phenylmethoxyethyl)imidazole is sourced from PubChem (CID 174504062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).