1-ethyl-4-propan-2-ylimidazole

C8H14N2 — CID 10057571

IUPAC1-ethyl-4-propan-2-ylimidazole
SMILESCCn1cnc(C(C)C)c1
InChIInChI=1S/C8H14N2/c1-4-10-5-8(7(2)3)9-6-10/h5-7H,4H2,1-3H3
InChIKeyPQWPVOKMZRSQQM-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.03
Rot. Bonds2

About 1-ethyl-4-propan-2-ylimidazole

1-ethyl-4-propan-2-ylimidazole (PubChem CID 10057571) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylimidazole.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylimidazole
PubChem CID10057571
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-ethyl-4-propan-2-ylimidazole
SMILESCCn1cnc(C(C)C)c1
InChIInChI=1S/C8H14N2/c1-4-10-5-8(7(2)3)9-6-10/h5-7H,4H2,1-3H3
InChIKeyPQWPVOKMZRSQQM-UHFFFAOYSA-N
XLogP2.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylimidazole?
The IUPAC name of 1-ethyl-4-propan-2-ylimidazole (CID 10057571) is 1-ethyl-4-propan-2-ylimidazole.
What is the SMILES notation for 1-ethyl-4-propan-2-ylimidazole?
The canonical SMILES for 1-ethyl-4-propan-2-ylimidazole is CCn1cnc(C(C)C)c1.
What is the InChIKey of 1-ethyl-4-propan-2-ylimidazole?
The InChIKey is PQWPVOKMZRSQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-10-5-8(7(2)3)9-6-10/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-ylimidazole?
1-ethyl-4-propan-2-ylimidazole has a molecular weight of 138.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylimidazole is sourced from PubChem (CID 10057571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).