2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole

C13H20N2 — CID 155182510

IUPAC2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole
SMILESCCC/C=C(\CC)C1=NC(C2CC2)=NC1
InChIInChI=1S/C13H20N2/c1-3-5-6-10(4-2)12-9-14-13(15-12)11-7-8-11/h6,11H,3-5,7-9H2,1-2H3/b10-6+
InChIKeyZLDABKQLGPRATL-UXBLZVDNSA-N
MW204.32 g/mol
LogP3.39
Rot. Bonds5

About 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole

2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole (PubChem CID 155182510) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole.

Molecular Properties

Compound Name2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole
PubChem CID155182510
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole
SMILESCCC/C=C(\CC)C1=NC(C2CC2)=NC1
InChIInChI=1S/C13H20N2/c1-3-5-6-10(4-2)12-9-14-13(15-12)11-7-8-11/h6,11H,3-5,7-9H2,1-2H3/b10-6+
InChIKeyZLDABKQLGPRATL-UXBLZVDNSA-N
XLogP3.39
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole?
The IUPAC name of 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole (CID 155182510) is 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole.
What is the SMILES notation for 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole?
The canonical SMILES for 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole is CCC/C=C(\CC)C1=NC(C2CC2)=NC1.
What is the InChIKey of 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole?
The InChIKey is ZLDABKQLGPRATL-UXBLZVDNSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-5-6-10(4-2)12-9-14-13(15-12)11-7-8-11/h6,11H,3-5,7-9H2,1-2H3/b10-6+.
What are the key properties of 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole?
2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole has a molecular weight of 204.32 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[(E)-hept-3-en-3-yl]-4H-imidazole is sourced from PubChem (CID 155182510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).