1,3-bis(2-methylbutan-2-yl)-2H-imidazole

C13H26N2 — CID 102048131

IUPAC1,3-bis(2-methylbutan-2-yl)-2H-imidazole
SMILESCCC(C)(C)N1C=CN(C(C)(C)CC)C1
InChIInChI=1S/C13H26N2/c1-7-12(3,4)14-9-10-15(11-14)13(5,6)8-2/h9-10H,7-8,11H2,1-6H3
InChIKeyYBGSHZOEMOKARP-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.41
Rot. Bonds4

About 1,3-bis(2-methylbutan-2-yl)-2H-imidazole

1,3-bis(2-methylbutan-2-yl)-2H-imidazole (PubChem CID 102048131) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,3-bis(2-methylbutan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(2-methylbutan-2-yl)-2H-imidazole
PubChem CID102048131
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1,3-bis(2-methylbutan-2-yl)-2H-imidazole
SMILESCCC(C)(C)N1C=CN(C(C)(C)CC)C1
InChIInChI=1S/C13H26N2/c1-7-12(3,4)14-9-10-15(11-14)13(5,6)8-2/h9-10H,7-8,11H2,1-6H3
InChIKeyYBGSHZOEMOKARP-UHFFFAOYSA-N
XLogP3.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-methylbutan-2-yl)-2H-imidazole?
The IUPAC name of 1,3-bis(2-methylbutan-2-yl)-2H-imidazole (CID 102048131) is 1,3-bis(2-methylbutan-2-yl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(2-methylbutan-2-yl)-2H-imidazole?
The canonical SMILES for 1,3-bis(2-methylbutan-2-yl)-2H-imidazole is CCC(C)(C)N1C=CN(C(C)(C)CC)C1.
What is the InChIKey of 1,3-bis(2-methylbutan-2-yl)-2H-imidazole?
The InChIKey is YBGSHZOEMOKARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-7-12(3,4)14-9-10-15(11-14)13(5,6)8-2/h9-10H,7-8,11H2,1-6H3.
What are the key properties of 1,3-bis(2-methylbutan-2-yl)-2H-imidazole?
1,3-bis(2-methylbutan-2-yl)-2H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methylbutan-2-yl)-2H-imidazole is sourced from PubChem (CID 102048131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).