5-hept-3-ynyl-1H-imidazole

C10H14N2 — CID 10630835

IUPAC5-hept-3-ynyl-1H-imidazole
SMILESCCCC#CCCc1cnc[nH]1
InChIInChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h8-9H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyUDXIRDIVFQGLKT-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.15
Rot. Bonds3

About 5-hept-3-ynyl-1H-imidazole

5-hept-3-ynyl-1H-imidazole (PubChem CID 10630835) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 5-hept-3-ynyl-1H-imidazole.

Molecular Properties

Compound Name5-hept-3-ynyl-1H-imidazole
PubChem CID10630835
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name5-hept-3-ynyl-1H-imidazole
SMILESCCCC#CCCc1cnc[nH]1
InChIInChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h8-9H,2-3,6-7H2,1H3,(H,11,12)
InChIKeyUDXIRDIVFQGLKT-UHFFFAOYSA-N
XLogP2.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
Histamine Dihydrochloride
CID 5818
Burimamide
CID 3032915
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Cipralisant
CID 6450823
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
Immepip
CID 3035842
Vuf-5296
CID 10103168

Frequently Asked Questions

What is the IUPAC name of 5-hept-3-ynyl-1H-imidazole?
The IUPAC name of 5-hept-3-ynyl-1H-imidazole (CID 10630835) is 5-hept-3-ynyl-1H-imidazole.
What is the SMILES notation for 5-hept-3-ynyl-1H-imidazole?
The canonical SMILES for 5-hept-3-ynyl-1H-imidazole is CCCC#CCCc1cnc[nH]1.
What is the InChIKey of 5-hept-3-ynyl-1H-imidazole?
The InChIKey is UDXIRDIVFQGLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-2-3-4-5-6-7-10-8-11-9-12-10/h8-9H,2-3,6-7H2,1H3,(H,11,12).
What are the key properties of 5-hept-3-ynyl-1H-imidazole?
5-hept-3-ynyl-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hept-3-ynyl-1H-imidazole is sourced from PubChem (CID 10630835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).