[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol

C13H22N2O2 — CID 106825588

IUPAC[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
SMILESOCC1CCC(OCCCn2ccnc2)CC1
InChIInChI=1S/C13H22N2O2/c16-10-12-2-4-13(5-3-12)17-9-1-7-15-8-6-14-11-15/h6,8,11-13,16H,1-5,7,9-10H2
InChIKeyVDBXCBAFUPUFCN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.84
Rot. Bonds6

About [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol

[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol (PubChem CID 106825588) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
PubChem CID106825588
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol
SMILESOCC1CCC(OCCCn2ccnc2)CC1
InChIInChI=1S/C13H22N2O2/c16-10-12-2-4-13(5-3-12)17-9-1-7-15-8-6-14-11-15/h6,8,11-13,16H,1-5,7,9-10H2
InChIKeyVDBXCBAFUPUFCN-UHFFFAOYSA-N
XLogP1.84
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-imidazol-1-ylpropoxy)-2-methylpiperidine
CID 62074285
4-(2-imidazol-1-ylethoxy)cyclohexane-1-carboxylic acid
CID 114451021
3-(3-imidazol-1-ylpropoxy)-1-oxa-8-azaspiro[4.5]decane
CID 102930394
1-(13-ethoxytridecyl)imidazole
CID 145255635
2-imidazol-1-ylethanol
CID 159023310
1-(14-imidazol-1-yltetradecyl)imidazole;hydrochloride
CID 57391442
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5-bis(4-imidazol-1-ylbutoxy)-6-methoxyoxan-3-ol
CID 101138639
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
1-[3-(2-pyrrolidin-3-ylethoxy)propyl]imidazole
CID 114796227
1-[3-(2,2-dimethylpropoxy)propyl]imidazole
CID 166921523
3-(2-imidazol-1-ylethoxy)piperidine
CID 106937689
(4-pent-4-ynoxycyclohexyl)methanol
CID 106825551

Frequently Asked Questions

What is the IUPAC name of [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol?
The IUPAC name of [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol (CID 106825588) is [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol.
What is the SMILES notation for [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol?
The canonical SMILES for [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol is OCC1CCC(OCCCn2ccnc2)CC1.
What is the InChIKey of [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol?
The InChIKey is VDBXCBAFUPUFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-10-12-2-4-13(5-3-12)17-9-1-7-15-8-6-14-11-15/h6,8,11-13,16H,1-5,7,9-10H2.
What are the key properties of [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol?
[4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-imidazol-1-ylpropoxy)cyclohexyl]methanol is sourced from PubChem (CID 106825588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).