2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine

C11H18N4O3 — CID 103554783

IUPAC2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(NC(C)C2CCCO2)n1C
InChIInChI=1S/C11H18N4O3/c1-7(9-5-4-6-18-9)12-10-11(15(16)17)13-8(2)14(10)3/h7,9,12H,4-6H2,1-3H3
InChIKeyNJGROYFNEBUBOH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.62
Rot. Bonds4

About 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine

2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine (PubChem CID 103554783) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
PubChem CID103554783
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
SMILESCc1nc([N+](=O)[O-])c(NC(C)C2CCCO2)n1C
InChIInChI=1S/C11H18N4O3/c1-7(9-5-4-6-18-9)12-10-11(15(16)17)13-8(2)14(10)3/h7,9,12H,4-6H2,1-3H3
InChIKeyNJGROYFNEBUBOH-UHFFFAOYSA-N
XLogP1.62
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.62
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 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine?
The IUPAC name of 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine (CID 103554783) is 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine.
What is the SMILES notation for 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine?
The canonical SMILES for 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine is Cc1nc([N+](=O)[O-])c(NC(C)C2CCCO2)n1C.
What is the InChIKey of 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine?
The InChIKey is NJGROYFNEBUBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7(9-5-4-6-18-9)12-10-11(15(16)17)13-8(2)14(10)3/h7,9,12H,4-6H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine?
2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine has a molecular weight of 254.29 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine is sourced from PubChem (CID 103554783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).