1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole

C10H14N2 — CID 135192796

IUPAC1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole
SMILESCCc1nccn1C12CC(C1)C2
InChIInChI=1S/C10H14N2/c1-2-9-11-3-4-12(9)10-5-8(6-10)7-10/h3-4,8H,2,5-7H2,1H3
InChIKeyURVBEEMWNWHVEW-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.95
Rot. Bonds2

About 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole

1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole (PubChem CID 135192796) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole.

Molecular Properties

Compound Name1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole
PubChem CID135192796
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole
SMILESCCc1nccn1C12CC(C1)C2
InChIInChI=1S/C10H14N2/c1-2-9-11-3-4-12(9)10-5-8(6-10)7-10/h3-4,8H,2,5-7H2,1H3
InChIKeyURVBEEMWNWHVEW-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole?
The IUPAC name of 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole (CID 135192796) is 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole.
What is the SMILES notation for 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole?
The canonical SMILES for 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole is CCc1nccn1C12CC(C1)C2.
What is the InChIKey of 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole?
The InChIKey is URVBEEMWNWHVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-9-11-3-4-12(9)10-5-8(6-10)7-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole?
1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole has a molecular weight of 162.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bicyclo[1.1.1]pentanyl)-2-ethylimidazole is sourced from PubChem (CID 135192796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).