1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol

C12H20N2O — CID 115820564

IUPAC1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1(C)CCCC1
InChIInChI=1S/C12H20N2O/c1-12(5-3-4-6-12)10(15)9-11-13-7-8-14(11)2/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyOJNOGIWBDGBIDN-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.90
Rot. Bonds3

About 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol

1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol (PubChem CID 115820564) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
PubChem CID115820564
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol
SMILESCn1ccnc1CC(O)C1(C)CCCC1
InChIInChI=1S/C12H20N2O/c1-12(5-3-4-6-12)10(15)9-11-13-7-8-14(11)2/h7-8,10,15H,3-6,9H2,1-2H3
InChIKeyOJNOGIWBDGBIDN-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol?
The IUPAC name of 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol (CID 115820564) is 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol is Cn1ccnc1CC(O)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol?
The InChIKey is OJNOGIWBDGBIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(5-3-4-6-12)10(15)9-11-13-7-8-14(11)2/h7-8,10,15H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol?
1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)-2-(1-methylimidazol-2-yl)ethanol is sourced from PubChem (CID 115820564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).