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

C13H26N2 — CID 91412259

IUPAC1,3-bis(3-methylbutan-2-yl)-2H-imidazole
SMILESCC(C)C(C)N1C=CN(C(C)C(C)C)C1
InChIInChI=1S/C13H26N2/c1-10(2)12(5)14-7-8-15(9-14)13(6)11(3)4/h7-8,10-13H,9H2,1-6H3
InChIKeyLOHJWVNAYFWPFG-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.12
Rot. Bonds4

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

1,3-bis(3-methylbutan-2-yl)-2H-imidazole (PubChem CID 91412259) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1,3-bis(3-methylbutan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name1,3-bis(3-methylbutan-2-yl)-2H-imidazole
PubChem CID91412259
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1,3-bis(3-methylbutan-2-yl)-2H-imidazole
SMILESCC(C)C(C)N1C=CN(C(C)C(C)C)C1
InChIInChI=1S/C13H26N2/c1-10(2)12(5)14-7-8-15(9-14)13(6)11(3)4/h7-8,10-13H,9H2,1-6H3
InChIKeyLOHJWVNAYFWPFG-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Diisopropyl-2,3-dihydro-1H-imidazole
CID 4961718
1,3-Di-tert-butyl-2,3-dihydro-1H-imidazole
CID 10110535
CID 15533103
CID 15533103
1,3-dipropyl-2H-imidazole
CID 19800562
1,3-Ditert-butyl-2-methylideneimidazole
CID 91401003
1-methyl-3-(2-methylpropyl)-2H-imidazole
CID 21844790
1-methyl-3-(3-methylbutyl)-2H-imidazole
CID 21917385
1-ethyl-3-propan-2-yl-2H-imidazole
CID 21917394
1-butan-2-yl-3-methyl-2H-imidazole
CID 22468328
1-propan-2-yl-3-propyl-2H-imidazole
CID 22936083
1-tert-butyl-3-propan-2-yl-2H-imidazole
CID 22936086
1,2-dimethyl-3-propan-2-yl-2H-imidazole
CID 23077191

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-methylbutan-2-yl)-2H-imidazole?
The IUPAC name of 1,3-bis(3-methylbutan-2-yl)-2H-imidazole (CID 91412259) is 1,3-bis(3-methylbutan-2-yl)-2H-imidazole.
What is the SMILES notation for 1,3-bis(3-methylbutan-2-yl)-2H-imidazole?
The canonical SMILES for 1,3-bis(3-methylbutan-2-yl)-2H-imidazole is CC(C)C(C)N1C=CN(C(C)C(C)C)C1.
What is the InChIKey of 1,3-bis(3-methylbutan-2-yl)-2H-imidazole?
The InChIKey is LOHJWVNAYFWPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)12(5)14-7-8-15(9-14)13(6)11(3)4/h7-8,10-13H,9H2,1-6H3.
What are the key properties of 1,3-bis(3-methylbutan-2-yl)-2H-imidazole?
1,3-bis(3-methylbutan-2-yl)-2H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-methylbutan-2-yl)-2H-imidazole is sourced from PubChem (CID 91412259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).