4-cyclopentyl-5-nitro-1H-imidazole

C8H11N3O2 — CID 137002473

IUPAC4-cyclopentyl-5-nitro-1H-imidazole
SMILESO=[N+]([O-])c1[nH]cnc1C1CCCC1
InChIInChI=1S/C8H11N3O2/c12-11(13)8-7(9-5-10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10)
InChIKeyHULGNSMKTKRANN-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.98
Rot. Bonds2

About 4-cyclopentyl-5-nitro-1H-imidazole

4-cyclopentyl-5-nitro-1H-imidazole (PubChem CID 137002473) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-cyclopentyl-5-nitro-1H-imidazole.

Molecular Properties

Compound Name4-cyclopentyl-5-nitro-1H-imidazole
PubChem CID137002473
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-cyclopentyl-5-nitro-1H-imidazole
SMILESO=[N+]([O-])c1[nH]cnc1C1CCCC1
InChIInChI=1S/C8H11N3O2/c12-11(13)8-7(9-5-10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10)
InChIKeyHULGNSMKTKRANN-UHFFFAOYSA-N
XLogP1.98
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-5-nitro-1H-imidazole?
The IUPAC name of 4-cyclopentyl-5-nitro-1H-imidazole (CID 137002473) is 4-cyclopentyl-5-nitro-1H-imidazole.
What is the SMILES notation for 4-cyclopentyl-5-nitro-1H-imidazole?
The canonical SMILES for 4-cyclopentyl-5-nitro-1H-imidazole is O=[N+]([O-])c1[nH]cnc1C1CCCC1.
What is the InChIKey of 4-cyclopentyl-5-nitro-1H-imidazole?
The InChIKey is HULGNSMKTKRANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-11(13)8-7(9-5-10-8)6-3-1-2-4-6/h5-6H,1-4H2,(H,9,10).
What are the key properties of 4-cyclopentyl-5-nitro-1H-imidazole?
4-cyclopentyl-5-nitro-1H-imidazole has a molecular weight of 181.19 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-5-nitro-1H-imidazole is sourced from PubChem (CID 137002473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).