1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole

C14H28N2 — CID 175347298

IUPAC1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole
SMILESCCCCN1C(CCC)=C(C)N(CC)C1C
InChIInChI=1S/C14H28N2/c1-6-9-11-16-13(5)15(8-3)12(4)14(16)10-7-2/h13H,6-11H2,1-5H3
InChIKeyKVDSFGIABHZHJU-UHFFFAOYSA-N
MW224.39 g/mol
LogP3.80
Rot. Bonds6

About 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole

1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole (PubChem CID 175347298) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole.

Molecular Properties

Compound Name1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole
PubChem CID175347298
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole
SMILESCCCCN1C(CCC)=C(C)N(CC)C1C
InChIInChI=1S/C14H28N2/c1-6-9-11-16-13(5)15(8-3)12(4)14(16)10-7-2/h13H,6-11H2,1-5H3
InChIKeyKVDSFGIABHZHJU-UHFFFAOYSA-N
XLogP3.80
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole?
The IUPAC name of 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole (CID 175347298) is 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole.
What is the SMILES notation for 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole?
The canonical SMILES for 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole is CCCCN1C(CCC)=C(C)N(CC)C1C.
What is the InChIKey of 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole?
The InChIKey is KVDSFGIABHZHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-9-11-16-13(5)15(8-3)12(4)14(16)10-7-2/h13H,6-11H2,1-5H3.
What are the key properties of 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole?
1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole has a molecular weight of 224.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-2,4-dimethyl-5-propyl-2H-imidazole is sourced from PubChem (CID 175347298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).