trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol

C10H16N2O — CID 102735138

IUPACtrans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol
SMILESCc1ncn([C@@H]2CCC[C@H]2O)c1C
InChIInChI=1S/C10H16N2O/c1-7-8(2)12(6-11-7)9-4-3-5-10(9)13/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m1/s1
InChIKeyHAMPHRWZFKFRAG-NXEZZACHSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds1

About trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol (PubChem CID 102735138) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol
PubChem CID102735138
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nametrans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol
SMILESCc1ncn([C@@H]2CCC[C@H]2O)c1C
InChIInChI=1S/C10H16N2O/c1-7-8(2)12(6-11-7)9-4-3-5-10(9)13/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m1/s1
InChIKeyHAMPHRWZFKFRAG-NXEZZACHSA-N
XLogP1.59
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 ≤ 51.59
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-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol (CID 102735138) is trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol is Cc1ncn([C@@H]2CCC[C@H]2O)c1C.
What is the InChIKey of trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol?
The InChIKey is HAMPHRWZFKFRAG-NXEZZACHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-8(2)12(6-11-7)9-4-3-5-10(9)13/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.59, 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-(4,5-dimethylimidazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102735138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).