4-cyclopropyl-1-propan-2-ylimidazole

C9H14N2 — CID 131116967

IUPAC4-cyclopropyl-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(C2CC2)c1
InChIInChI=1S/C9H14N2/c1-7(2)11-5-9(10-6-11)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyVVUBVSYKXUHJEU-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.34
Rot. Bonds2

About 4-cyclopropyl-1-propan-2-ylimidazole

4-cyclopropyl-1-propan-2-ylimidazole (PubChem CID 131116967) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-cyclopropyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4-cyclopropyl-1-propan-2-ylimidazole
PubChem CID131116967
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-cyclopropyl-1-propan-2-ylimidazole
SMILESCC(C)n1cnc(C2CC2)c1
InChIInChI=1S/C9H14N2/c1-7(2)11-5-9(10-6-11)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyVVUBVSYKXUHJEU-UHFFFAOYSA-N
XLogP2.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-1-propan-2-ylimidazole?
The IUPAC name of 4-cyclopropyl-1-propan-2-ylimidazole (CID 131116967) is 4-cyclopropyl-1-propan-2-ylimidazole.
What is the SMILES notation for 4-cyclopropyl-1-propan-2-ylimidazole?
The canonical SMILES for 4-cyclopropyl-1-propan-2-ylimidazole is CC(C)n1cnc(C2CC2)c1.
What is the InChIKey of 4-cyclopropyl-1-propan-2-ylimidazole?
The InChIKey is VVUBVSYKXUHJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)11-5-9(10-6-11)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-1-propan-2-ylimidazole?
4-cyclopropyl-1-propan-2-ylimidazole has a molecular weight of 150.22 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-propan-2-ylimidazole is sourced from PubChem (CID 131116967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).