1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole

C15H24N2O — CID 58526065

IUPAC1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole
SMILESCC1(C)C2CCC1(C)C(OCCn1ccnc1)C2
InChIInChI=1S/C15H24N2O/c1-14(2)12-4-5-15(14,3)13(10-12)18-9-8-17-7-6-16-11-17/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyVPMGJJZAQMCEPM-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.11
Rot. Bonds4

About 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole

1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole (PubChem CID 58526065) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole
PubChem CID58526065
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole
SMILESCC1(C)C2CCC1(C)C(OCCn1ccnc1)C2
InChIInChI=1S/C15H24N2O/c1-14(2)12-4-5-15(14,3)13(10-12)18-9-8-17-7-6-16-11-17/h6-7,11-13H,4-5,8-10H2,1-3H3
InChIKeyVPMGJJZAQMCEPM-UHFFFAOYSA-N
XLogP3.11
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-[[(1S,2S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]imidazol-1-ium
CID 134972275
N-(3-imidazol-1-ylpropyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 60662749
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
dimethyl-[2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25276894
2-[2,2-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 57494932
dimethyl-[2-oxo-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 98476949
dimethyl-[2-oxo-2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 98476948
3-ethyl-9-(2-imidazol-1-ylethoxy)-3-azaspiro[5.5]undecane
CID 70846828
2-[[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl thiocyanate
CID 6581701
N'-[2-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]ethane-1,2-diamine
CID 19915932
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole?
The IUPAC name of 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole (CID 58526065) is 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole?
The canonical SMILES for 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole is CC1(C)C2CCC1(C)C(OCCn1ccnc1)C2.
What is the InChIKey of 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole?
The InChIKey is VPMGJJZAQMCEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-14(2)12-4-5-15(14,3)13(10-12)18-9-8-17-7-6-16-11-17/h6-7,11-13H,4-5,8-10H2,1-3H3.
What are the key properties of 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole?
1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole has a molecular weight of 248.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]imidazole is sourced from PubChem (CID 58526065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).