1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole

C19H34N4 — CID 69340332

IUPAC1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole
SMILESCCCCn1c(C)cnc1CC.CCCCn1ccnc1CC
InChIInChI=1S/C10H18N2.C9H16N2/c1-4-6-7-12-9(3)8-11-10(12)5-2;1-3-5-7-11-8-6-10-9(11)4-2/h8H,4-7H2,1-3H3;6,8H,3-5,7H2,1-2H3
InChIKeyPJHGFLQMMITXAY-UHFFFAOYSA-N
MW318.51 g/mol
LogP4.80
Rot. Bonds8

About 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole

1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole (PubChem CID 69340332) has the molecular formula C19H34N4 and a molecular weight of 318.51 g/mol. Its IUPAC name is 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole.

Molecular Properties

Compound Name1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole
PubChem CID69340332
Molecular FormulaC19H34N4
Molecular Weight318.51 g/mol
Exact Mass318.28
IUPAC Name1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole
SMILESCCCCn1c(C)cnc1CC.CCCCn1ccnc1CC
InChIInChI=1S/C10H18N2.C9H16N2/c1-4-6-7-12-9(3)8-11-10(12)5-2;1-3-5-7-11-8-6-10-9(11)4-2/h8H,4-7H2,1-3H3;6,8H,3-5,7H2,1-2H3
InChIKeyPJHGFLQMMITXAY-UHFFFAOYSA-N
XLogP4.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.51
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole?
The IUPAC name of 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole (CID 69340332) is 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole.
What is the SMILES notation for 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole?
The canonical SMILES for 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole is CCCCn1c(C)cnc1CC.CCCCn1ccnc1CC.
What is the InChIKey of 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole?
The InChIKey is PJHGFLQMMITXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2.C9H16N2/c1-4-6-7-12-9(3)8-11-10(12)5-2;1-3-5-7-11-8-6-10-9(11)4-2/h8H,4-7H2,1-3H3;6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole?
1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole has a molecular weight of 318.51 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-ethylimidazole;1-butyl-2-ethyl-5-methylimidazole is sourced from PubChem (CID 69340332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).