trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol

C9H14N2O — CID 118203083

IUPACtrans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol
SMILESC[C@@H]1CCC(n2ccnc2)[C@@H]1O
InChIInChI=1S/C9H14N2O/c1-7-2-3-8(9(7)12)11-5-4-10-6-11/h4-9,12H,2-3H2,1H3/t7-,8?,9-/m1/s1
InChIKeyZZOANKWTWISKBP-PSGOWDBMSA-N
MW166.22 g/mol
LogP1.22
Rot. Bonds1

About trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol

trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol (PubChem CID 118203083) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol
PubChem CID118203083
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nametrans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol
SMILESC[C@@H]1CCC(n2ccnc2)[C@@H]1O
InChIInChI=1S/C9H14N2O/c1-7-2-3-8(9(7)12)11-5-4-10-6-11/h4-9,12H,2-3H2,1H3/t7-,8?,9-/m1/s1
InChIKeyZZOANKWTWISKBP-PSGOWDBMSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Imidazol-1-yl-nonan-2-ol
CID 44304750
2-(1H-imidazol-1-yl)cyclohexan-1-ol
CID 13576994
(1S*,2S*)-2-(1H-imidazol-1-yl)cyclohexanol
CID 13576995
(+/-)-trans-2-(Imidazol-1-yl)cyclohexanol
CID 18397574
trans-(1S,2S)-2-(3-butylimidazol-3-ium-1-yl)cyclohexan-1-ol
CID 102090193
2-[[[1-(Difluoromethyl)imidazol-2-yl]methyl-methylamino]methyl]cyclopentan-1-ol
CID 109398078
(3,3-Difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol
CID 114215848
[(1R,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
CID 124619872
[(1R,3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
CID 124619873
[(1S,3R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
CID 124619874
[(1S,3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-3-methylcyclopentyl]methanol
CID 124619875
trans-(1R,2R)-2-[(3,3-difluoro-2,2-dimethylpentyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 146112592

Frequently Asked Questions

What is the IUPAC name of trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol?
The IUPAC name of trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol (CID 118203083) is trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol is C[C@@H]1CCC(n2ccnc2)[C@@H]1O.
What is the InChIKey of trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol?
The InChIKey is ZZOANKWTWISKBP-PSGOWDBMSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-2-3-8(9(7)12)11-5-4-10-6-11/h4-9,12H,2-3H2,1H3/t7-,8?,9-/m1/s1.
What are the key properties of trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol?
trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,5R)-2-imidazol-1-yl-5-methylcyclopentan-1-ol is sourced from PubChem (CID 118203083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).