1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole

C14H28N2 — CID 70433400

IUPAC1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole
SMILESCCC1=C(CC)N(CC(C)C)C(C)N1CC
InChIInChI=1S/C14H28N2/c1-7-13-14(8-2)16(10-11(4)5)12(6)15(13)9-3/h11-12H,7-10H2,1-6H3
InChIKeyXDELSMLJHORSKC-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.66
Rot. Bonds5

About 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole

1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole (PubChem CID 70433400) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole.

Molecular Properties

Compound Name1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole
PubChem CID70433400
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole
SMILESCCC1=C(CC)N(CC(C)C)C(C)N1CC
InChIInChI=1S/C14H28N2/c1-7-13-14(8-2)16(10-11(4)5)12(6)15(13)9-3/h11-12H,7-10H2,1-6H3
InChIKeyXDELSMLJHORSKC-UHFFFAOYSA-N
XLogP3.66
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole?
The IUPAC name of 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole (CID 70433400) is 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole.
What is the SMILES notation for 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole?
The canonical SMILES for 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole is CCC1=C(CC)N(CC(C)C)C(C)N1CC.
What is the InChIKey of 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole?
The InChIKey is XDELSMLJHORSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-13-14(8-2)16(10-11(4)5)12(6)15(13)9-3/h11-12H,7-10H2,1-6H3.
What are the key properties of 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole?
1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-triethyl-2-methyl-3-(2-methylpropyl)-2H-imidazole is sourced from PubChem (CID 70433400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).