5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole

C13H18N2 — CID 10584285

IUPAC5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole
SMILESCC(C)CCC#CC1CC1c1cnc[nH]1
InChIInChI=1S/C13H18N2/c1-10(2)5-3-4-6-11-7-12(11)13-8-14-9-15-13/h8-12H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyOWZPODIBWTYIFN-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.95
Rot. Bonds3

About 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole

5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole (PubChem CID 10584285) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole.

Molecular Properties

Compound Name5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole
PubChem CID10584285
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole
SMILESCC(C)CCC#CC1CC1c1cnc[nH]1
InChIInChI=1S/C13H18N2/c1-10(2)5-3-4-6-11-7-12(11)13-8-14-9-15-13/h8-12H,3,5,7H2,1-2H3,(H,14,15)
InChIKeyOWZPODIBWTYIFN-UHFFFAOYSA-N
XLogP2.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole?
The IUPAC name of 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole (CID 10584285) is 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole.
What is the SMILES notation for 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole?
The canonical SMILES for 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole is CC(C)CCC#CC1CC1c1cnc[nH]1.
What is the InChIKey of 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole?
The InChIKey is OWZPODIBWTYIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)5-3-4-6-11-7-12(11)13-8-14-9-15-13/h8-12H,3,5,7H2,1-2H3,(H,14,15).
What are the key properties of 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole?
5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-methylhex-1-ynyl)cyclopropyl]-1H-imidazole is sourced from PubChem (CID 10584285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).