1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol

C12H20N2O — CID 107005397

IUPAC1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1CC1(C)C
InChIInChI=1S/C12H20N2O/c1-4-14-6-5-13-11(14)7-10(15)9-8-12(9,2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyBIFJBOAOPXZURB-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.85
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol

1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol (PubChem CID 107005397) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
PubChem CID107005397
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol
SMILESCCn1ccnc1CC(O)C1CC1(C)C
InChIInChI=1S/C12H20N2O/c1-4-14-6-5-13-11(14)7-10(15)9-8-12(9,2)3/h5-6,9-10,15H,4,7-8H2,1-3H3
InChIKeyBIFJBOAOPXZURB-UHFFFAOYSA-N
XLogP1.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanamine
CID 107004731
1-(2,2-dimethylcyclopropyl)-2-(1-methylimidazol-2-yl)ethanol
CID 107005402
2-(1-ethylimidazol-2-yl)-1-(4-propylcyclohexyl)ethanol
CID 79752753
1-[1-(dimethylamino)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanol
CID 79752032
2-(1-ethylimidazol-2-yl)-1-(2-phenylcyclopropyl)ethanol
CID 115819256
1-(5,6-dimethyl-1,4-dithian-2-yl)-2-(1-ethylimidazol-2-yl)ethanol
CID 103345287
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
1-(4-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 115819272
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(1-ethylimidazol-2-yl)ethanol
CID 79752863
[2-(1-ethylimidazol-2-yl)-1-(1-methylcyclopentyl)ethyl]hydrazine
CID 105321806
1-(4,4-dimethylcyclohexyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752511
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclohexyl)ethanol
CID 116753292

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol (CID 107005397) is 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol is CCn1ccnc1CC(O)C1CC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol?
The InChIKey is BIFJBOAOPXZURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-14-6-5-13-11(14)7-10(15)9-8-12(9,2)3/h5-6,9-10,15H,4,7-8H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol?
1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol has a molecular weight of 208.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-2-(1-ethylimidazol-2-yl)ethanol is sourced from PubChem (CID 107005397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).