3-butyl-1-ethyl-4-propyl-2H-imidazole

C12H24N2 — CID 160688456

IUPAC3-butyl-1-ethyl-4-propyl-2H-imidazole
SMILESCCCCN1CN(CC)C=C1CCC
InChIInChI=1S/C12H24N2/c1-4-7-9-14-11-13(6-3)10-12(14)8-5-2/h10H,4-9,11H2,1-3H3
InChIKeyRPBXEKMPRNZRPE-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.02
Rot. Bonds6

About 3-butyl-1-ethyl-4-propyl-2H-imidazole

3-butyl-1-ethyl-4-propyl-2H-imidazole (PubChem CID 160688456) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 3-butyl-1-ethyl-4-propyl-2H-imidazole.

Molecular Properties

Compound Name3-butyl-1-ethyl-4-propyl-2H-imidazole
PubChem CID160688456
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name3-butyl-1-ethyl-4-propyl-2H-imidazole
SMILESCCCCN1CN(CC)C=C1CCC
InChIInChI=1S/C12H24N2/c1-4-7-9-14-11-13(6-3)10-12(14)8-5-2/h10H,4-9,11H2,1-3H3
InChIKeyRPBXEKMPRNZRPE-UHFFFAOYSA-N
XLogP3.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-ethyl-4-propyl-2H-imidazole?
The IUPAC name of 3-butyl-1-ethyl-4-propyl-2H-imidazole (CID 160688456) is 3-butyl-1-ethyl-4-propyl-2H-imidazole.
What is the SMILES notation for 3-butyl-1-ethyl-4-propyl-2H-imidazole?
The canonical SMILES for 3-butyl-1-ethyl-4-propyl-2H-imidazole is CCCCN1CN(CC)C=C1CCC.
What is the InChIKey of 3-butyl-1-ethyl-4-propyl-2H-imidazole?
The InChIKey is RPBXEKMPRNZRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-7-9-14-11-13(6-3)10-12(14)8-5-2/h10H,4-9,11H2,1-3H3.
What are the key properties of 3-butyl-1-ethyl-4-propyl-2H-imidazole?
3-butyl-1-ethyl-4-propyl-2H-imidazole has a molecular weight of 196.34 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-ethyl-4-propyl-2H-imidazole is sourced from PubChem (CID 160688456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).