1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole

C23H32N2O — CID 67055783

IUPAC1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole
SMILESCCCCn1cncc1-c1ccccc1OCC=C(C)CCC=C(C)C
InChIInChI=1S/C23H32N2O/c1-5-6-15-25-18-24-17-22(25)21-12-7-8-13-23(21)26-16-14-20(4)11-9-10-19(2)3/h7-8,10,12-14,17-18H,5-6,9,11,15-16H2,1-4H3
InChIKeyQRHFNVTVLNXGKK-UHFFFAOYSA-N
MW352.52 g/mol
LogP6.42
Rot. Bonds10

About 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole

1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole (PubChem CID 67055783) has the molecular formula C23H32N2O and a molecular weight of 352.52 g/mol. Its IUPAC name is 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole.

Molecular Properties

Compound Name1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole
PubChem CID67055783
Molecular FormulaC23H32N2O
Molecular Weight352.52 g/mol
Exact Mass352.25
IUPAC Name1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole
SMILESCCCCn1cncc1-c1ccccc1OCC=C(C)CCC=C(C)C
InChIInChI=1S/C23H32N2O/c1-5-6-15-25-18-24-17-22(25)21-12-7-8-13-23(21)26-16-14-20(4)11-9-10-19(2)3/h7-8,10,12-14,17-18H,5-6,9,11,15-16H2,1-4H3
InChIKeyQRHFNVTVLNXGKK-UHFFFAOYSA-N
XLogP6.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

O-(3,7-dimethylocta-2,6-dienyl) 2-(3,7-dimethylocta-2,6-dienoxy)benzenecarbothioate
CID 57048892
1-(2-methylpropyl)-5-(2-prop-2-enoxyphenyl)imidazole
CID 67055639
1-[(2E,6E)-3,7-dimethyldeca-2,6-dienoxy]-3,5-bis[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]benzene
CID 162436832
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
8-decoxy-3,4-bis(3,7-dimethylocta-2,6-dienoxy)chromen-2-one
CID 54047485
[4-decoxy-5-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-oxochromen-3-yl] acetate
CID 19929711
1,3-dimethyl-4-[3-[3-(2-methylphenoxy)propyl]imidazol-4-yl]pyrazole
CID 46980437
(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
CID 174793032
2-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenoxy]phenazine
CID 129320347
4-(3,7-dimethylocta-2,6-dienoxy)-3-methoxybenzoic acid
CID 54425440
1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-hydroxy-7-phenylmethoxyquinolin-2-one
CID 139718552
2-(3-ethylimidazol-4-yl)phenol
CID 67055650

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole?
The IUPAC name of 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole (CID 67055783) is 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole.
What is the SMILES notation for 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole?
The canonical SMILES for 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole is CCCCn1cncc1-c1ccccc1OCC=C(C)CCC=C(C)C.
What is the InChIKey of 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole?
The InChIKey is QRHFNVTVLNXGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O/c1-5-6-15-25-18-24-17-22(25)21-12-7-8-13-23(21)26-16-14-20(4)11-9-10-19(2)3/h7-8,10,12-14,17-18H,5-6,9,11,15-16H2,1-4H3.
What are the key properties of 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole?
1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole has a molecular weight of 352.52 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-[2-(3,7-dimethylocta-2,6-dienoxy)phenyl]imidazole is sourced from PubChem (CID 67055783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).