1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide

C22H41BrN2 — CID 175343149

IUPAC1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCn1ccnc1C1CCCC(C)C1
InChIInChI=1S/C22H40N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-16-23-22(24)21-15-13-14-20(2)19-21;/h16,18,20-21H,3-15,17,19H2,1-2H3;1H
InChIKeyWMIQJYHZJJOUJT-UHFFFAOYSA-N
MW413.49 g/mol
LogP7.68
Rot. Bonds12

About 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide

1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide (PubChem CID 175343149) has the molecular formula C22H41BrN2 and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide.

Molecular Properties

Compound Name1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide
PubChem CID175343149
Molecular FormulaC22H41BrN2
Molecular Weight413.49 g/mol
Exact Mass412.25
IUPAC Name1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide
SMILESBr.CCCCCCCCCCCCn1ccnc1C1CCCC(C)C1
InChIInChI=1S/C22H40N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-16-23-22(24)21-15-13-14-20(2)19-21;/h16,18,20-21H,3-15,17,19H2,1-2H3;1H
InChIKeyWMIQJYHZJJOUJT-UHFFFAOYSA-N
XLogP7.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.49
LogP ≤ 57.68
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-methyl-2-(3-methylcyclohexyl)imidazole
CID 66875294
2-(3-chlorocyclohexyl)-1-ethylimidazole
CID 64515914
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492
1-[3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-[cyclopentyl(methyl)amino]ethanone
CID 72897186
[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 97275870
(3R)-3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 97199500
3-(1-butylimidazol-2-yl)-1-pyrrolidin-1-ylsulfonylpiperidine
CID 72893126
1-[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 97192324
1-[(3S)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-2-(2-methylimidazol-1-yl)ethanone
CID 97187284
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
2-(azepan-1-yl)-1-[4-(1-butylimidazol-2-yl)piperidin-1-yl]ethanone
CID 72854261
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705

Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide?
The IUPAC name of 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide (CID 175343149) is 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide.
What is the SMILES notation for 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide?
The canonical SMILES for 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide is Br.CCCCCCCCCCCCn1ccnc1C1CCCC(C)C1.
What is the InChIKey of 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide?
The InChIKey is WMIQJYHZJJOUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N2.BrH/c1-3-4-5-6-7-8-9-10-11-12-17-24-18-16-23-22(24)21-15-13-14-20(2)19-21;/h16,18,20-21H,3-15,17,19H2,1-2H3;1H.
What are the key properties of 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide?
1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide has a molecular weight of 413.49 g/mol, XLogP of 7.68, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-2-(3-methylcyclohexyl)imidazole;hydrobromide is sourced from PubChem (CID 175343149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).