1-tert-butyl-3-propan-2-yl-2H-imidazole

C10H20N2 — CID 22936086

IUPAC1-tert-butyl-3-propan-2-yl-2H-imidazole
SMILESCC(C)N1C=CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2/c1-9(2)11-6-7-12(8-11)10(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyVZQMELRLTUZCPS-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.24
Rot. Bonds1

About 1-tert-butyl-3-propan-2-yl-2H-imidazole

1-tert-butyl-3-propan-2-yl-2H-imidazole (PubChem CID 22936086) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-yl-2H-imidazole.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-yl-2H-imidazole
PubChem CID22936086
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name1-tert-butyl-3-propan-2-yl-2H-imidazole
SMILESCC(C)N1C=CN(C(C)(C)C)C1
InChIInChI=1S/C10H20N2/c1-9(2)11-6-7-12(8-11)10(3,4)5/h6-7,9H,8H2,1-5H3
InChIKeyVZQMELRLTUZCPS-UHFFFAOYSA-N
XLogP2.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-yl-2H-imidazole?
The IUPAC name of 1-tert-butyl-3-propan-2-yl-2H-imidazole (CID 22936086) is 1-tert-butyl-3-propan-2-yl-2H-imidazole.
What is the SMILES notation for 1-tert-butyl-3-propan-2-yl-2H-imidazole?
The canonical SMILES for 1-tert-butyl-3-propan-2-yl-2H-imidazole is CC(C)N1C=CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-propan-2-yl-2H-imidazole?
The InChIKey is VZQMELRLTUZCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-9(2)11-6-7-12(8-11)10(3,4)5/h6-7,9H,8H2,1-5H3.
What are the key properties of 1-tert-butyl-3-propan-2-yl-2H-imidazole?
1-tert-butyl-3-propan-2-yl-2H-imidazole has a molecular weight of 168.28 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-propan-2-yl-2H-imidazole is sourced from PubChem (CID 22936086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).