1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride

C16H27ClN2O2 — CID 12870429

IUPAC1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CCCCCCn2ccnc2)CCCCC1
InChIInChI=1S/C16H26N2O2.ClH/c19-15(20)16(9-5-3-6-10-16)8-4-1-2-7-12-18-13-11-17-14-18;/h11,13-14H,1-10,12H2,(H,19,20);1H
InChIKeyLCFYHQQSSDMUEV-UHFFFAOYSA-N
MW314.86 g/mol
LogP4.29
Rot. Bonds8

About 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride

1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride (PubChem CID 12870429) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
PubChem CID12870429
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC Name1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1(CCCCCCn2ccnc2)CCCCC1
InChIInChI=1S/C16H26N2O2.ClH/c19-15(20)16(9-5-3-6-10-16)8-4-1-2-7-12-18-13-11-17-14-18;/h11,13-14H,1-10,12H2,(H,19,20);1H
InChIKeyLCFYHQQSSDMUEV-UHFFFAOYSA-N
XLogP4.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-Imidazole-1-octanoic acid
CID 125737
8-Imidazol-1-yloctanoic acid hydrochloride
CID 12870425
5-[1-Cyclohexyl-2-imidazol-1-yl-eth-(E)-ylideneaminooxy]-pentanoic acid
CID 10244703
5-[1-Cyclohexyl-2-imidazol-1-yl-eth-(Z)-ylideneaminooxy]-pentanoic acid
CID 10244704
8-Imidazol-1-yl-2-methyloctanoic acid;hydrochloride
CID 12870427
1-(7-Carboxy-7-hydroxymethylheptyl)imidazole hydrochloride
CID 12870433
8-Imidazol-1-yl-2,2-dimethyloctanoic acid;hydrochloride
CID 12870455
8-Imidazol-1-yl-2,2-dimethyloct-6-ynoic acid;hydrochloride
CID 12870469
8-Imidazol-1-yl-8-methylnonanoic acid;hydrochloride
CID 12870496
8-Imidazol-1-yl-4,4-dimethyloctanoic acid;hydrochloride
CID 12870498
7-Imidazol-1-ylheptanoic acid;hydrochloride
CID 12870526
10-(1H-imidazol-1-yl)decanoic acid
CID 12803316

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride (CID 12870429) is 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride is Cl.O=C(O)C1(CCCCCCn2ccnc2)CCCCC1.
What is the InChIKey of 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride?
The InChIKey is LCFYHQQSSDMUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c19-15(20)16(9-5-3-6-10-16)8-4-1-2-7-12-18-13-11-17-14-18;/h11,13-14H,1-10,12H2,(H,19,20);1H.
What are the key properties of 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride?
1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylhexyl)cyclohexane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 12870429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).