7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol

C13H20N2O — CID 115800045

IUPAC7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)C1C2CCCCC21
InChIInChI=1S/C13H20N2O/c1-2-15-8-7-14-13(15)12(16)11-9-5-3-4-6-10(9)11/h7-12,16H,2-6H2,1H3
InChIKeyXLOABRWDSRJBKM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds3

About 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol

7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol (PubChem CID 115800045) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
PubChem CID115800045
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol
SMILESCCn1ccnc1C(O)C1C2CCCCC21
InChIInChI=1S/C13H20N2O/c1-2-15-8-7-14-13(15)12(16)11-9-5-3-4-6-10(9)11/h7-12,16H,2-6H2,1H3
InChIKeyXLOABRWDSRJBKM-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethylimidazol-2-yl)-(thian-2-yl)methanol
CID 80622339
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-ol
CID 79063348
2-cyclopentylsulfanyl-1-(1-ethylimidazol-2-yl)ethanamine
CID 65138714
1,4-diazabicyclo[2.2.2]octan-2-yl-(1-ethylimidazol-2-yl)methanol
CID 79969029
(1-ethylimidazol-2-yl)-(oxan-2-yl)methanamine
CID 115860223
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
(1-ethylimidazol-2-yl)-(4-methylthiomorpholin-3-yl)methanol
CID 103595608
2-cycloheptyl-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 115860135
1-(1-ethylimidazol-2-yl)-2-(oxolan-3-yl)ethanol
CID 103986534
(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol?
The IUPAC name of 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol (CID 115800045) is 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol?
The canonical SMILES for 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol is CCn1ccnc1C(O)C1C2CCCCC21.
What is the InChIKey of 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol?
The InChIKey is XLOABRWDSRJBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-15-8-7-14-13(15)12(16)11-9-5-3-4-6-10(9)11/h7-12,16H,2-6H2,1H3.
What are the key properties of 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol?
7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.1.0]heptanyl-(1-ethylimidazol-2-yl)methanol is sourced from PubChem (CID 115800045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).