trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol

C9H14N2O — CID 18397574

IUPACtrans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1ccnc1
InChIInChI=1S/C9H14N2O/c12-9-4-2-1-3-8(9)11-6-5-10-7-11/h5-9,12H,1-4H2/t8-,9-/m1/s1
InChIKeyHELVEFCDBSXYQT-RKDXNWHRSA-N
MW166.22 g/mol
LogP1.36
Rot. Bonds1

About trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol

trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol (PubChem CID 18397574) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol
PubChem CID18397574
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nametrans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1n1ccnc1
InChIInChI=1S/C9H14N2O/c12-9-4-2-1-3-8(9)11-6-5-10-7-11/h5-9,12H,1-4H2/t8-,9-/m1/s1
InChIKeyHELVEFCDBSXYQT-RKDXNWHRSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol (CID 18397574) is trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol is O[C@@H]1CCCC[C@H]1n1ccnc1.
What is the InChIKey of trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol?
The InChIKey is HELVEFCDBSXYQT-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9-4-2-1-3-8(9)11-6-5-10-7-11/h5-9,12H,1-4H2/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol?
trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-imidazol-1-ylcyclohexan-1-ol is sourced from PubChem (CID 18397574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).