1-butyl-3,4-di(propan-2-yl)-2H-imidazole

C13H26N2 — CID 174848782

IUPAC1-butyl-3,4-di(propan-2-yl)-2H-imidazole
SMILESCCCCN1C=C(C(C)C)N(C(C)C)C1
InChIInChI=1S/C13H26N2/c1-6-7-8-14-9-13(11(2)3)15(10-14)12(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyKMJHOXIODUCLIE-UHFFFAOYSA-N
MW210.36 g/mol
LogP3.27
Rot. Bonds5

About 1-butyl-3,4-di(propan-2-yl)-2H-imidazole

1-butyl-3,4-di(propan-2-yl)-2H-imidazole (PubChem CID 174848782) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is 1-butyl-3,4-di(propan-2-yl)-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3,4-di(propan-2-yl)-2H-imidazole
PubChem CID174848782
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name1-butyl-3,4-di(propan-2-yl)-2H-imidazole
SMILESCCCCN1C=C(C(C)C)N(C(C)C)C1
InChIInChI=1S/C13H26N2/c1-6-7-8-14-9-13(11(2)3)15(10-14)12(4)5/h9,11-12H,6-8,10H2,1-5H3
InChIKeyKMJHOXIODUCLIE-UHFFFAOYSA-N
XLogP3.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3,4-di(propan-2-yl)-2H-imidazole?
The IUPAC name of 1-butyl-3,4-di(propan-2-yl)-2H-imidazole (CID 174848782) is 1-butyl-3,4-di(propan-2-yl)-2H-imidazole.
What is the SMILES notation for 1-butyl-3,4-di(propan-2-yl)-2H-imidazole?
The canonical SMILES for 1-butyl-3,4-di(propan-2-yl)-2H-imidazole is CCCCN1C=C(C(C)C)N(C(C)C)C1.
What is the InChIKey of 1-butyl-3,4-di(propan-2-yl)-2H-imidazole?
The InChIKey is KMJHOXIODUCLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-6-7-8-14-9-13(11(2)3)15(10-14)12(4)5/h9,11-12H,6-8,10H2,1-5H3.
What are the key properties of 1-butyl-3,4-di(propan-2-yl)-2H-imidazole?
1-butyl-3,4-di(propan-2-yl)-2H-imidazole has a molecular weight of 210.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3,4-di(propan-2-yl)-2H-imidazole is sourced from PubChem (CID 174848782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).