4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol

C13H21N3O — CID 104966852

IUPAC4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cncc2C2CCNC2)CC1
InChIInChI=1S/C13H21N3O/c17-12-3-1-11(2-4-12)16-9-15-8-13(16)10-5-6-14-7-10/h8-12,14,17H,1-7H2
InChIKeyDESUURYIEVRMFN-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.44
Rot. Bonds2

About 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol

4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol (PubChem CID 104966852) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
PubChem CID104966852
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol
SMILESOC1CCC(n2cncc2C2CCNC2)CC1
InChIInChI=1S/C13H21N3O/c17-12-3-1-11(2-4-12)16-9-15-8-13(16)10-5-6-14-7-10/h8-12,14,17H,1-7H2
InChIKeyDESUURYIEVRMFN-UHFFFAOYSA-N
XLogP1.44
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-5-pyrrolidin-3-ylimidazole
CID 114717647
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CID 106194342
3-(5-piperidin-4-ylimidazol-1-yl)thiolane 1,1-dioxide
CID 114702845
4-[3-(2,3-dihydro-1H-inden-2-yl)imidazol-4-yl]piperidine
CID 107854524
4-(3-cyclopropylimidazol-4-yl)-3-phenylpiperidine
CID 79311440
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
3-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)imidazol-4-yl]piperidine
CID 114705510
4-(3-cyclopropylimidazol-4-yl)piperidine-2,6-dione
CID 66140663
1-(3,4-dihydro-2H-chromen-4-yl)-5-pyrrolidin-3-ylimidazole
CID 114720100
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
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CID 114719037

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol (CID 104966852) is 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol is OC1CCC(n2cncc2C2CCNC2)CC1.
What is the InChIKey of 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is DESUURYIEVRMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c17-12-3-1-11(2-4-12)16-9-15-8-13(16)10-5-6-14-7-10/h8-12,14,17H,1-7H2.
What are the key properties of 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol?
4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyrrolidin-3-ylimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 104966852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).