1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole

C11H13N5O2 — CID 142498059

IUPAC1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole
SMILESO=[N+]([O-])c1cn(-c2cn(C3CCCC3)cn2)cn1
InChIInChI=1S/C11H13N5O2/c17-16(18)11-6-15(8-13-11)10-5-14(7-12-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyJZEMMOVRVWWWGC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.09
Rot. Bonds3

About 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole

1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole (PubChem CID 142498059) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole
PubChem CID142498059
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole
SMILESO=[N+]([O-])c1cn(-c2cn(C3CCCC3)cn2)cn1
InChIInChI=1S/C11H13N5O2/c17-16(18)11-6-15(8-13-11)10-5-14(7-12-10)9-3-1-2-4-9/h5-9H,1-4H2
InChIKeyJZEMMOVRVWWWGC-UHFFFAOYSA-N
XLogP2.09
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Related Compounds

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CID 170352371
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CID 172838816
3-(4-nitroimidazol-1-yl)cyclobutan-1-amine
CID 20738541
2-[4-(4-nitroimidazol-1-yl)cyclohexyl]ethanol
CID 142498404
1-(1-methylpyrrolidin-3-yl)-4-nitroimidazole
CID 121248293
1-bromo-4-nitroimidazole
CID 68722485
5-amino-1-cyclopentylpyrimidin-4-one
CID 115114540
5-methyl-2-(4-nitroimidazol-1-yl)-1,3-thiazole
CID 101439992
1-cyclobutyl-4-iodoimidazole
CID 135150752
1-cyclohexylimidazole-4-sulfonamide
CID 81340652
N-cyclopentyl-2,3-dimethoxy-5-(4-nitroimidazol-1-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole?
The IUPAC name of 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole (CID 142498059) is 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole.
What is the SMILES notation for 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole?
The canonical SMILES for 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole is O=[N+]([O-])c1cn(-c2cn(C3CCCC3)cn2)cn1.
What is the InChIKey of 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole?
The InChIKey is JZEMMOVRVWWWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-16(18)11-6-15(8-13-11)10-5-14(7-12-10)9-3-1-2-4-9/h5-9H,1-4H2.
What are the key properties of 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole?
1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole has a molecular weight of 247.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-nitroimidazol-1-yl)imidazole is sourced from PubChem (CID 142498059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).