1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole

C12H19N5O2 — CID 62275463

IUPAC1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole
SMILESCn1cnc([N+](=O)[O-])c1N1CCCC1C1CCCN1
InChIInChI=1S/C12H19N5O2/c1-15-8-14-11(17(18)19)12(15)16-7-3-5-10(16)9-4-2-6-13-9/h8-10,13H,2-7H2,1H3
InChIKeyAZQRNQTVVFVMDU-UHFFFAOYSA-N
MW265.32 g/mol
LogP1.05
Rot. Bonds3

About 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole

1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole (PubChem CID 62275463) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole.

Molecular Properties

Compound Name1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole
PubChem CID62275463
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole
SMILESCn1cnc([N+](=O)[O-])c1N1CCCC1C1CCCN1
InChIInChI=1S/C12H19N5O2/c1-15-8-14-11(17(18)19)12(15)16-7-3-5-10(16)9-4-2-6-13-9/h8-10,13H,2-7H2,1H3
InChIKeyAZQRNQTVVFVMDU-UHFFFAOYSA-N
XLogP1.05
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole?
The IUPAC name of 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole (CID 62275463) is 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole.
What is the SMILES notation for 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole?
The canonical SMILES for 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole is Cn1cnc([N+](=O)[O-])c1N1CCCC1C1CCCN1.
What is the InChIKey of 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole?
The InChIKey is AZQRNQTVVFVMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-15-8-14-11(17(18)19)12(15)16-7-3-5-10(16)9-4-2-6-13-9/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole?
1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole has a molecular weight of 265.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-5-(2-pyrrolidin-2-ylpyrrolidin-1-yl)imidazole is sourced from PubChem (CID 62275463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).