2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole

C17H30N2 — CID 169322193

IUPAC2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole
SMILESCc1c(C2CCCCC2)nc(C(C)(C)C)n1C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)19-13(3)15(14-10-8-7-9-11-14)18-16(19)17(4,5)6/h12,14H,7-11H2,1-6H3
InChIKeyVZUSWKLAOISWRB-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.12
Rot. Bonds2

About 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole

2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole (PubChem CID 169322193) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole
PubChem CID169322193
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole
SMILESCc1c(C2CCCCC2)nc(C(C)(C)C)n1C(C)C
InChIInChI=1S/C17H30N2/c1-12(2)19-13(3)15(14-10-8-7-9-11-14)18-16(19)17(4,5)6/h12,14H,7-11H2,1-6H3
InChIKeyVZUSWKLAOISWRB-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole (CID 169322193) is 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole is Cc1c(C2CCCCC2)nc(C(C)(C)C)n1C(C)C.
What is the InChIKey of 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole?
The InChIKey is VZUSWKLAOISWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-12(2)19-13(3)15(14-10-8-7-9-11-14)18-16(19)17(4,5)6/h12,14H,7-11H2,1-6H3.
What are the key properties of 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole?
2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole has a molecular weight of 262.44 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-cyclohexyl-5-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 169322193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).