4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C11H10N6O3 — CID 10149349

IUPAC4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C11H10N6O3/c1-2-16-6-4-3-5-7(17(18)19)8(6)13-11(16)9-10(12)15-20-14-9/h3-5H,2H2,1H3,(H2,12,15)
InChIKeyWHWSBUIWAZHHSK-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.60
Rot. Bonds3

About 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 10149349) has the molecular formula C11H10N6O3 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID10149349
Molecular FormulaC11H10N6O3
Molecular Weight274.24 g/mol
Exact Mass274.08
IUPAC Name4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESCCn1c(-c2nonc2N)nc2c([N+](=O)[O-])cccc21
InChIInChI=1S/C11H10N6O3/c1-2-16-6-4-3-5-7(17(18)19)8(6)13-11(16)9-10(12)15-20-14-9/h3-5H,2H2,1H3,(H2,12,15)
InChIKeyWHWSBUIWAZHHSK-UHFFFAOYSA-N
XLogP1.60
TPSA125.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-5-nitrobenzimidazole
CID 74524
6-Nitro-2-(2-pyridyl)benzimidazole
CID 100489
1H-Benzimidazole, 2-ethyl-7-nitro-1-propyl-5-(trifluoromethyl)-
CID 93304
4-[1-(Cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 607858
4-(1-Ethyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 599038
4-(1-Methyl-1H-benzoimidazol-2-yl)-furazan-3-ylamine
CID 753058
1-(2,4-Dinitrophenyl)benzimidazole
CID 2831910
1-Methyl-2-nitro-1H-benzimidazole
CID 145807
4-(1-methyl-1H-imidazo(4,5-c)pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 11680113
4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 738531
5-Nitro-1-phenylbenzimidazole
CID 739094
4-(1-ethyl-1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 23646578

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 10149349) is 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is CCn1c(-c2nonc2N)nc2c([N+](=O)[O-])cccc21.
What is the InChIKey of 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is WHWSBUIWAZHHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O3/c1-2-16-6-4-3-5-7(17(18)19)8(6)13-11(16)9-10(12)15-20-14-9/h3-5H,2H2,1H3,(H2,12,15).
What are the key properties of 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 274.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethyl-4-nitrobenzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 10149349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).