3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol

C13H20N2O — CID 115799261

IUPAC3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CC2CC2C1
InChIInChI=1S/C13H20N2O/c1-2-4-15-5-3-14-13(15)12(16)11-7-9-6-10(9)8-11/h3,5,9-12,16H,2,4,6-8H2,1H3
InChIKeyHDXZGYBDURLCPS-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.37
Rot. Bonds4

About 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol

3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol (PubChem CID 115799261) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
PubChem CID115799261
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol
SMILESCCCn1ccnc1C(O)C1CC2CC2C1
InChIInChI=1S/C13H20N2O/c1-2-4-15-5-3-14-13(15)12(16)11-7-9-6-10(9)8-11/h3,5,9-12,16H,2,4,6-8H2,1H3
InChIKeyHDXZGYBDURLCPS-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol with MolForge

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Related Compounds

(4-ethylcyclohexyl)-(1-propylimidazol-2-yl)methanol
CID 65393927
(3,5-dimethylcyclohex-3-en-1-yl)-(1-propylimidazol-2-yl)methanol
CID 103277462
(4-methylmorpholin-2-yl)-(1-propylimidazol-2-yl)methanol
CID 79087761
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanol
CID 115799314
(2-methylcyclopropyl)-(1-propylimidazol-2-yl)methanamine
CID 65420833
[(1-propylimidazol-2-yl)-(3-tricyclo[3.2.1.02,4]octanyl)methyl]hydrazine
CID 114097461
3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol
CID 105098448
2-cyclopentyl-1-(1-propylimidazol-2-yl)ethanamine
CID 115858989
(1-propylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 63975228
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
2-(dimethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79047519
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
CID 102927681

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol (CID 115799261) is 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol is CCCn1ccnc1C(O)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol?
The InChIKey is HDXZGYBDURLCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-2-4-15-5-3-14-13(15)12(16)11-7-9-6-10(9)8-11/h3,5,9-12,16H,2,4,6-8H2,1H3.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol?
3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol has a molecular weight of 220.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(1-propylimidazol-2-yl)methanol is sourced from PubChem (CID 115799261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).