2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole

C10H6Cl3N3O2 — CID 3106764

IUPAC2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole
SMILESO=[N+]([O-])C(=C1Nc2ccccc2N1)C(Cl)=C(Cl)Cl
InChIInChI=1S/C10H6Cl3N3O2/c11-7(9(12)13)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H
InChIKeyNMWNNVAECBLGFO-UHFFFAOYSA-N
MW306.54 g/mol
LogP3.86
Rot. Bonds2

About 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole

2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole (PubChem CID 3106764) has the molecular formula C10H6Cl3N3O2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole
PubChem CID3106764
Molecular FormulaC10H6Cl3N3O2
Molecular Weight306.54 g/mol
Exact Mass304.95
IUPAC Name2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole
SMILESO=[N+]([O-])C(=C1Nc2ccccc2N1)C(Cl)=C(Cl)Cl
InChIInChI=1S/C10H6Cl3N3O2/c11-7(9(12)13)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H
InChIKeyNMWNNVAECBLGFO-UHFFFAOYSA-N
XLogP3.86
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.54
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole?
The IUPAC name of 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole (CID 3106764) is 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole.
What is the SMILES notation for 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole?
The canonical SMILES for 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole is O=[N+]([O-])C(=C1Nc2ccccc2N1)C(Cl)=C(Cl)Cl.
What is the InChIKey of 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole?
The InChIKey is NMWNNVAECBLGFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3O2/c11-7(9(12)13)8(16(17)18)10-14-5-3-1-2-4-6(5)15-10/h1-4,14-15H.
What are the key properties of 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole?
2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole has a molecular weight of 306.54 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole is sourced from PubChem (CID 3106764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).