4-tert-butyl-1-propan-2-ylimidazole

C10H18N2 — CID 10080747

IUPAC4-tert-butyl-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(C(C)(C)C)c1
InChIInChI=1S/C10H18N2/c1-8(2)12-6-9(11-7-12)10(3,4)5/h6-8H,1-5H3
InChIKeyHHMQTVVHKVDCNX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.76
Rot. Bonds1

About 4-tert-butyl-1-propan-2-ylimidazole

4-tert-butyl-1-propan-2-ylimidazole (PubChem CID 10080747) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-tert-butyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-tert-butyl-1-propan-2-ylimidazole
PubChem CID10080747
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-tert-butyl-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(C(C)(C)C)c1
InChIInChI=1S/C10H18N2/c1-8(2)12-6-9(11-7-12)10(3,4)5/h6-8H,1-5H3
InChIKeyHHMQTVVHKVDCNX-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-propan-2-ylimidazole?
The IUPAC name of 4-tert-butyl-1-propan-2-ylimidazole (CID 10080747) is 4-tert-butyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4-tert-butyl-1-propan-2-ylimidazole?
The canonical SMILES for 4-tert-butyl-1-propan-2-ylimidazole is CC(C)n1cnc(C(C)(C)C)c1.
What is the InChIKey of 4-tert-butyl-1-propan-2-ylimidazole?
The InChIKey is HHMQTVVHKVDCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)12-6-9(11-7-12)10(3,4)5/h6-8H,1-5H3.
What are the key properties of 4-tert-butyl-1-propan-2-ylimidazole?
4-tert-butyl-1-propan-2-ylimidazole has a molecular weight of 166.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-propan-2-ylimidazole is sourced from PubChem (CID 10080747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).