4,5-dichloro-1-(4-hexylphenyl)imidazole

C15H18Cl2N2 — CID 90782396

IUPAC4,5-dichloro-1-(4-hexylphenyl)imidazole
SMILESCCCCCCc1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C15H18Cl2N2/c1-2-3-4-5-6-12-7-9-13(10-8-12)19-11-18-14(16)15(19)17/h7-11H,2-6H2,1H3
InChIKeyXTFUTOPCKUDZMW-UHFFFAOYSA-N
MW297.23 g/mol
LogP5.30
Rot. Bonds6

About 4,5-dichloro-1-(4-hexylphenyl)imidazole

4,5-dichloro-1-(4-hexylphenyl)imidazole (PubChem CID 90782396) has the molecular formula C15H18Cl2N2 and a molecular weight of 297.23 g/mol. Its IUPAC name is 4,5-dichloro-1-(4-hexylphenyl)imidazole.

Molecular Properties

Compound Name4,5-dichloro-1-(4-hexylphenyl)imidazole
PubChem CID90782396
Molecular FormulaC15H18Cl2N2
Molecular Weight297.23 g/mol
Exact Mass296.08
IUPAC Name4,5-dichloro-1-(4-hexylphenyl)imidazole
SMILESCCCCCCc1ccc(-n2cnc(Cl)c2Cl)cc1
InChIInChI=1S/C15H18Cl2N2/c1-2-3-4-5-6-12-7-9-13(10-8-12)19-11-18-14(16)15(19)17/h7-11H,2-6H2,1H3
InChIKeyXTFUTOPCKUDZMW-UHFFFAOYSA-N
XLogP5.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.23
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
6,18-bis(4-dodecylphenyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783614
1-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
(4-undecylphenyl) thiohypochlorite
CID 144733543
(4-dodecylphenyl)methyl thiohypochlorite
CID 22894472
(4-dodecylphenyl) thiohypochlorite
CID 71324332
CID 150102508
CID 150102508
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
1-methyl-4-octylbenzene
CID 11052746
(4-decylphenyl)-trimethylsilane
CID 69331769
[1-(4-hexylphenyl)triazol-4-yl]methanol
CID 70928371

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-1-(4-hexylphenyl)imidazole?
The IUPAC name of 4,5-dichloro-1-(4-hexylphenyl)imidazole (CID 90782396) is 4,5-dichloro-1-(4-hexylphenyl)imidazole.
What is the SMILES notation for 4,5-dichloro-1-(4-hexylphenyl)imidazole?
The canonical SMILES for 4,5-dichloro-1-(4-hexylphenyl)imidazole is CCCCCCc1ccc(-n2cnc(Cl)c2Cl)cc1.
What is the InChIKey of 4,5-dichloro-1-(4-hexylphenyl)imidazole?
The InChIKey is XTFUTOPCKUDZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N2/c1-2-3-4-5-6-12-7-9-13(10-8-12)19-11-18-14(16)15(19)17/h7-11H,2-6H2,1H3.
What are the key properties of 4,5-dichloro-1-(4-hexylphenyl)imidazole?
4,5-dichloro-1-(4-hexylphenyl)imidazole has a molecular weight of 297.23 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-1-(4-hexylphenyl)imidazole is sourced from PubChem (CID 90782396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).