5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole

C13H24N2 — CID 139524110

IUPAC5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCC/C=C\CC1CN=C(C(C)C)N1
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-12-10-14-13(15-12)11(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,14,15)/b8-7-
InChIKeyGJXHLVUUECXODM-FPLPWBNLSA-N
MW208.35 g/mol
LogP3.15
Rot. Bonds6

About 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole

5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 139524110) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole
PubChem CID139524110
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole
SMILESCCCC/C=C\CC1CN=C(C(C)C)N1
InChIInChI=1S/C13H24N2/c1-4-5-6-7-8-9-12-10-14-13(15-12)11(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,14,15)/b8-7-
InChIKeyGJXHLVUUECXODM-FPLPWBNLSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole (CID 139524110) is 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole is CCCC/C=C\CC1CN=C(C(C)C)N1.
What is the InChIKey of 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is GJXHLVUUECXODM-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H24N2/c1-4-5-6-7-8-9-12-10-14-13(15-12)11(2)3/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,14,15)/b8-7-.
What are the key properties of 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole?
5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 208.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hept-2-enyl]-2-propan-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 139524110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).