5-tert-butyl-4-cyclopropyl-1-methylimidazole

C11H18N2 — CID 160726876

IUPAC5-tert-butyl-4-cyclopropyl-1-methylimidazole
SMILESCn1cnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C11H18N2/c1-11(2,3)10-9(8-5-6-8)12-7-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyBGQPJBVQHMNHHC-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds1

About 5-tert-butyl-4-cyclopropyl-1-methylimidazole

5-tert-butyl-4-cyclopropyl-1-methylimidazole (PubChem CID 160726876) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-tert-butyl-4-cyclopropyl-1-methylimidazole.

Molecular Properties

Compound Name5-tert-butyl-4-cyclopropyl-1-methylimidazole
PubChem CID160726876
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name5-tert-butyl-4-cyclopropyl-1-methylimidazole
SMILESCn1cnc(C2CC2)c1C(C)(C)C
InChIInChI=1S/C11H18N2/c1-11(2,3)10-9(8-5-6-8)12-7-13(10)4/h7-8H,5-6H2,1-4H3
InChIKeyBGQPJBVQHMNHHC-UHFFFAOYSA-N
XLogP2.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-cyclopropyl-1-methylimidazole?
The IUPAC name of 5-tert-butyl-4-cyclopropyl-1-methylimidazole (CID 160726876) is 5-tert-butyl-4-cyclopropyl-1-methylimidazole.
What is the SMILES notation for 5-tert-butyl-4-cyclopropyl-1-methylimidazole?
The canonical SMILES for 5-tert-butyl-4-cyclopropyl-1-methylimidazole is Cn1cnc(C2CC2)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-4-cyclopropyl-1-methylimidazole?
The InChIKey is BGQPJBVQHMNHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)10-9(8-5-6-8)12-7-13(10)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-4-cyclopropyl-1-methylimidazole?
5-tert-butyl-4-cyclopropyl-1-methylimidazole has a molecular weight of 178.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-cyclopropyl-1-methylimidazole is sourced from PubChem (CID 160726876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).