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

C11H18N2O — CID 140958015

IUPACtrans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol
SMILESCC(C)C1CC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C11H18N2O/c1-8(2)9-3-4-10(11(9)14)13-6-5-12-7-13/h5-11,14H,3-4H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyQDTOHBBVAWLPFG-FHZGLPGMSA-N
MW194.28 g/mol
LogP1.85
Rot. Bonds2

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

trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol (PubChem CID 140958015) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol
PubChem CID140958015
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Nametrans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol
SMILESCC(C)C1CC[C@@H](n2ccnc2)[C@@H]1O
InChIInChI=1S/C11H18N2O/c1-8(2)9-3-4-10(11(9)14)13-6-5-12-7-13/h5-11,14H,3-4H2,1-2H3/t9?,10-,11-/m1/s1
InChIKeyQDTOHBBVAWLPFG-FHZGLPGMSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 44304750
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CID 155057396
(3,3-Difluorocyclopentyl)-(1-propylimidazol-2-yl)methanol
CID 114215848
trans-(1R,2R)-2-[(1-fluorocyclopropyl)methylamino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 167889869
2-[7-(imidazol-1-ylmethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]ethanol
CID 131644778
1-Cyclohexyl-2-imidazol-1-yl-4,4-dimethylpentan-3-ol
CID 13289772
2-Imidazol-1-yl-3,7,11-trimethyldodecane-1,3-diol
CID 19928720
alpha-(4,4-dimethylpentyl)-1H-imidazole-1-ethanol
CID 20039097
2-Imidazol-1-yl-1-(4-methylcyclohexyl)ethanol
CID 20282134
1-(4-Tert-butylcyclohexyl)-2-imidazol-1-ylethanol
CID 20282408
1-Cyclohexyl-2-imidazol-1-ylethanol
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4-Cyclohexyl-1-imidazol-1-ylbutan-2-ol
CID 20282603

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol (CID 140958015) is trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol is CC(C)C1CC[C@@H](n2ccnc2)[C@@H]1O.
What is the InChIKey of trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol?
The InChIKey is QDTOHBBVAWLPFG-FHZGLPGMSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)9-3-4-10(11(9)14)13-6-5-12-7-13/h5-11,14H,3-4H2,1-2H3/t9?,10-,11-/m1/s1.
What are the key properties of trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol?
trans-(1R,2R)-2-imidazol-1-yl-5-propan-2-ylcyclopentan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.85, 2 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-yl-5-propan-2-ylcyclopentan-1-ol is sourced from PubChem (CID 140958015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).