4-chloro-1-hexyl-2-methylimidazole

C10H17ClN2 — CID 56634054

IUPAC4-chloro-1-hexyl-2-methylimidazole
SMILESCCCCCCn1cc(Cl)nc1C
InChIInChI=1S/C10H17ClN2/c1-3-4-5-6-7-13-8-10(11)12-9(13)2/h8H,3-7H2,1-2H3
InChIKeyYHFMYDBEBGGXGL-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.43
Rot. Bonds5

About 4-chloro-1-hexyl-2-methylimidazole

4-chloro-1-hexyl-2-methylimidazole (PubChem CID 56634054) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is 4-chloro-1-hexyl-2-methylimidazole.

Molecular Properties

Compound Name4-chloro-1-hexyl-2-methylimidazole
PubChem CID56634054
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name4-chloro-1-hexyl-2-methylimidazole
SMILESCCCCCCn1cc(Cl)nc1C
InChIInChI=1S/C10H17ClN2/c1-3-4-5-6-7-13-8-10(11)12-9(13)2/h8H,3-7H2,1-2H3
InChIKeyYHFMYDBEBGGXGL-UHFFFAOYSA-N
XLogP3.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chloro-1-hexyl-2-methylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethyl-1-pentylimidazole
CID 134592157
4-chloro-1,2-dihexylimidazole
CID 141131957
1,4-didecyl-2-methylimidazole;hydrobromide
CID 173322060
1-butyl-2,4-dimethylimidazole
CID 69009415
4-benzyl-1-dodecyl-2-methylimidazole
CID 174200825
1-heptadecyl-2-methyl-4-(3-phenylpropyl)imidazole
CID 69405660
butane;3-chloro-5-hexylpyrrolo[2,3-b]pyrazine
CID 171838959
1-hexyl-N,4-dimethylimidazol-2-amine
CID 106573791
1-butyl-2-methyl-4-nitroimidazole
CID 2801466
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-decyl-N-ethyl-4-methylimidazol-2-amine
CID 106578047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-hexyl-2-methylimidazole?
The IUPAC name of 4-chloro-1-hexyl-2-methylimidazole (CID 56634054) is 4-chloro-1-hexyl-2-methylimidazole.
What is the SMILES notation for 4-chloro-1-hexyl-2-methylimidazole?
The canonical SMILES for 4-chloro-1-hexyl-2-methylimidazole is CCCCCCn1cc(Cl)nc1C.
What is the InChIKey of 4-chloro-1-hexyl-2-methylimidazole?
The InChIKey is YHFMYDBEBGGXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-3-4-5-6-7-13-8-10(11)12-9(13)2/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-1-hexyl-2-methylimidazole?
4-chloro-1-hexyl-2-methylimidazole has a molecular weight of 200.71 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hexyl-2-methylimidazole is sourced from PubChem (CID 56634054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).