trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol

C10H16N2O — CID 7140327

IUPACtrans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
SMILESCn1ccnc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H16N2O/c1-12-7-6-11-10(12)8-4-2-3-5-9(8)13/h6-9,13H,2-5H2,1H3/t8-,9-/m1/s1
InChIKeyRRMWHIBGROXHCA-RKDXNWHRSA-N
MW180.25 g/mol
LogP1.44
Rot. Bonds1

About trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol

trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol (PubChem CID 7140327) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
PubChem CID7140327
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nametrans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol
SMILESCn1ccnc1[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C10H16N2O/c1-12-7-6-11-10(12)8-4-2-3-5-9(8)13/h6-9,13H,2-5H2,1H3/t8-,9-/m1/s1
InChIKeyRRMWHIBGROXHCA-RKDXNWHRSA-N
XLogP1.44
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol (CID 7140327) is trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol is Cn1ccnc1[C@@H]1CCCC[C@H]1O.
What is the InChIKey of trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol?
The InChIKey is RRMWHIBGROXHCA-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H16N2O/c1-12-7-6-11-10(12)8-4-2-3-5-9(8)13/h6-9,13H,2-5H2,1H3/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol?
trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-(1-methylimidazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 7140327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).