2,6-di(imidazol-1-yl)cyclohexan-1-ol

C12H16N4O — CID 91619575

IUPAC2,6-di(imidazol-1-yl)cyclohexan-1-ol
SMILESOC1C(n2ccnc2)CCCC1n1ccnc1
InChIInChI=1S/C12H16N4O/c17-12-10(15-6-4-13-8-15)2-1-3-11(12)16-7-5-14-9-16/h4-12,17H,1-3H2
InChIKeyUDTNQEWNDNYUKN-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.41
Rot. Bonds2

About 2,6-di(imidazol-1-yl)cyclohexan-1-ol

2,6-di(imidazol-1-yl)cyclohexan-1-ol (PubChem CID 91619575) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2,6-di(imidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,6-di(imidazol-1-yl)cyclohexan-1-ol
PubChem CID91619575
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2,6-di(imidazol-1-yl)cyclohexan-1-ol
SMILESOC1C(n2ccnc2)CCCC1n1ccnc1
InChIInChI=1S/C12H16N4O/c17-12-10(15-6-4-13-8-15)2-1-3-11(12)16-7-5-14-9-16/h4-12,17H,1-3H2
InChIKeyUDTNQEWNDNYUKN-UHFFFAOYSA-N
XLogP1.41
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(imidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2,6-di(imidazol-1-yl)cyclohexan-1-ol (CID 91619575) is 2,6-di(imidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2,6-di(imidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2,6-di(imidazol-1-yl)cyclohexan-1-ol is OC1C(n2ccnc2)CCCC1n1ccnc1.
What is the InChIKey of 2,6-di(imidazol-1-yl)cyclohexan-1-ol?
The InChIKey is UDTNQEWNDNYUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12-10(15-6-4-13-8-15)2-1-3-11(12)16-7-5-14-9-16/h4-12,17H,1-3H2.
What are the key properties of 2,6-di(imidazol-1-yl)cyclohexan-1-ol?
2,6-di(imidazol-1-yl)cyclohexan-1-ol has a molecular weight of 232.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(imidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 91619575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).