4-chloro-1,2-dihexylimidazole

C15H27ClN2 — CID 141131957

IUPAC4-chloro-1,2-dihexylimidazole
SMILESCCCCCCc1nc(Cl)cn1CCCCCC
InChIInChI=1S/C15H27ClN2/c1-3-5-7-9-11-15-17-14(16)13-18(15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyYJWFHBOVFVYSQQ-UHFFFAOYSA-N
MW270.85 g/mol
LogP5.24
Rot. Bonds10

About 4-chloro-1,2-dihexylimidazole

4-chloro-1,2-dihexylimidazole (PubChem CID 141131957) has the molecular formula C15H27ClN2 and a molecular weight of 270.85 g/mol. Its IUPAC name is 4-chloro-1,2-dihexylimidazole.

Molecular Properties

Compound Name4-chloro-1,2-dihexylimidazole
PubChem CID141131957
Molecular FormulaC15H27ClN2
Molecular Weight270.85 g/mol
Exact Mass270.19
IUPAC Name4-chloro-1,2-dihexylimidazole
SMILESCCCCCCc1nc(Cl)cn1CCCCCC
InChIInChI=1S/C15H27ClN2/c1-3-5-7-9-11-15-17-14(16)13-18(15)12-10-8-6-4-2/h13H,3-12H2,1-2H3
InChIKeyYJWFHBOVFVYSQQ-UHFFFAOYSA-N
XLogP5.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.85
LogP ≤ 55.24
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

4-chloro-1-hexyl-2-methylimidazole
CID 56634054
1-pentyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394705
1-hexadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69394149
1-octyl-4-(3-phenylpropyl)-2-undecylimidazole
CID 69393954
1-decyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69395730
2-hexyl-1-pentadecyl-4-(3-phenylpropyl)imidazole
CID 69388588
1-pentadecyl-4-(3-phenylpropyl)-2-tridecylimidazole
CID 69391173
2-dodecyl-1-heptadecyl-4-(3-phenylpropyl)imidazole
CID 69389170
2-decyl-4-(3-phenylpropyl)-1-tetradecylimidazole
CID 69391447
1-octadecyl-2-pentyl-4-(3-phenylpropyl)imidazole
CID 69388590
1-heptyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69394508
1-heptadecyl-2-hexyl-4-(3-phenylpropyl)imidazole
CID 69392845

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,2-dihexylimidazole?
The IUPAC name of 4-chloro-1,2-dihexylimidazole (CID 141131957) is 4-chloro-1,2-dihexylimidazole.
What is the SMILES notation for 4-chloro-1,2-dihexylimidazole?
The canonical SMILES for 4-chloro-1,2-dihexylimidazole is CCCCCCc1nc(Cl)cn1CCCCCC.
What is the InChIKey of 4-chloro-1,2-dihexylimidazole?
The InChIKey is YJWFHBOVFVYSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2/c1-3-5-7-9-11-15-17-14(16)13-18(15)12-10-8-6-4-2/h13H,3-12H2,1-2H3.
What are the key properties of 4-chloro-1,2-dihexylimidazole?
4-chloro-1,2-dihexylimidazole has a molecular weight of 270.85 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,2-dihexylimidazole is sourced from PubChem (CID 141131957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).