1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole

C12H22N2 — CID 54007160

IUPAC1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole
SMILESCCC(C)Cc1c(C)nc(C)n1CC
InChIInChI=1S/C12H22N2/c1-6-9(3)8-12-10(4)13-11(5)14(12)7-2/h9H,6-8H2,1-5H3
InChIKeyKPSABPGBJKQRIT-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.11
Rot. Bonds4

About 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole

1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole (PubChem CID 54007160) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole.

Molecular Properties

Compound Name1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole
PubChem CID54007160
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole
SMILESCCC(C)Cc1c(C)nc(C)n1CC
InChIInChI=1S/C12H22N2/c1-6-9(3)8-12-10(4)13-11(5)14(12)7-2/h9H,6-8H2,1-5H3
InChIKeyKPSABPGBJKQRIT-UHFFFAOYSA-N
XLogP3.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole?
The IUPAC name of 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole (CID 54007160) is 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole.
What is the SMILES notation for 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole?
The canonical SMILES for 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole is CCC(C)Cc1c(C)nc(C)n1CC.
What is the InChIKey of 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole?
The InChIKey is KPSABPGBJKQRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-9(3)8-12-10(4)13-11(5)14(12)7-2/h9H,6-8H2,1-5H3.
What are the key properties of 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole?
1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole has a molecular weight of 194.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,4-dimethyl-5-(2-methylbutyl)imidazole is sourced from PubChem (CID 54007160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).