5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole

C11H14N2 — CID 45120848

IUPAC5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole
SMILESc1ncc(C2CCC3=C2CCC3)[nH]1
InChIInChI=1S/C11H14N2/c1-2-8-4-5-10(9(8)3-1)11-6-12-7-13-11/h6-7,10H,1-5H2,(H,12,13)
InChIKeyGMOJQIPXFOCGMR-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.77
Rot. Bonds1

About 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole

5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole (PubChem CID 45120848) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole
PubChem CID45120848
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole
SMILESc1ncc(C2CCC3=C2CCC3)[nH]1
InChIInChI=1S/C11H14N2/c1-2-8-4-5-10(9(8)3-1)11-6-12-7-13-11/h6-7,10H,1-5H2,(H,12,13)
InChIKeyGMOJQIPXFOCGMR-UHFFFAOYSA-N
XLogP2.77
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 10775000
5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-ol;hydrochloride
CID 22923991
trans-(1S,2S)-2-(1H-imidazol-5-yl)cyclopentan-1-amine
CID 10240978
5-(6-methoxy-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 18405300
5-[(2S,4aR)-2,3,4,4a,5,6,7,8-octahydronaphthalen-2-yl]-1H-imidazole
CID 124677292
5-(2-methylcyclopropyl)-1H-imidazole
CID 72588094
(3R,6S)-6-(1H-imidazol-5-yl)oxan-3-amine
CID 23583388
5-(5-isothiocyanato-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10422502
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
CID 75485523
2-(1H-imidazol-5-yl)imidazolidin-4-one
CID 130626226
5-(1,2,3,4,5,6-hexahydronaphthalen-1-ylmethyl)-1H-imidazole
CID 142171931
5-(3-deuteriooxetan-3-yl)-1H-imidazole
CID 175941981

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole (CID 45120848) is 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole is c1ncc(C2CCC3=C2CCC3)[nH]1.
What is the InChIKey of 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole?
The InChIKey is GMOJQIPXFOCGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-8-4-5-10(9(8)3-1)11-6-12-7-13-11/h6-7,10H,1-5H2,(H,12,13).
What are the key properties of 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole?
5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole has a molecular weight of 174.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,5,6-hexahydropentalen-1-yl)-1H-imidazole is sourced from PubChem (CID 45120848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).