4,7-dichloro-6-nitro-1H-benzimidazole

C7H3Cl2N3O2 — CID 95909581

IUPAC4,7-dichloro-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1cc(Cl)c2nc[nH]c2c1Cl
InChIInChI=1S/C7H3Cl2N3O2/c8-3-1-4(12(13)14)5(9)7-6(3)10-2-11-7/h1-2H,(H,10,11)
InChIKeyGVSJWTOVIVXXPP-UHFFFAOYSA-N
MW232.03 g/mol
LogP2.78
Rot. Bonds1

About 4,7-dichloro-6-nitro-1H-benzimidazole

4,7-dichloro-6-nitro-1H-benzimidazole (PubChem CID 95909581) has the molecular formula C7H3Cl2N3O2 and a molecular weight of 232.03 g/mol. Its IUPAC name is 4,7-dichloro-6-nitro-1H-benzimidazole.

Molecular Properties

Compound Name4,7-dichloro-6-nitro-1H-benzimidazole
PubChem CID95909581
Molecular FormulaC7H3Cl2N3O2
Molecular Weight232.03 g/mol
Exact Mass230.96
IUPAC Name4,7-dichloro-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1cc(Cl)c2nc[nH]c2c1Cl
InChIInChI=1S/C7H3Cl2N3O2/c8-3-1-4(12(13)14)5(9)7-6(3)10-2-11-7/h1-2H,(H,10,11)
InChIKeyGVSJWTOVIVXXPP-UHFFFAOYSA-N
XLogP2.78
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.03
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

4,7-dinitro-1H-benzimidazole
CID 119091833
5-chloro-7-nitro-1H-imidazo[4,5-b]pyridine
CID 5375533
7-nitro-3H-benzimidazol-4-ol
CID 130770665
5-chloro-4-(4,5-dichloro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 107501326
2,3,4-trichloro-1,5-dinitrobenzene
CID 22875
6-methyl-4-nitro-1H-benzimidazole
CID 46707907
5-nitro-1H-benzimidazole-4-sulfonyl chloride
CID 131479443
4,7-diiodo-5,6-dinitro-1H-benzimidazole
CID 132518741
6-bromo-4,8-dichloro-3-nitroquinoline
CID 102614066
7-nitro-4-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 15366272
5-chloro-6-nitro-3H-quinazolin-4-one
CID 135813639
7-nitro-3H-benzimidazole-5-carbonitrile
CID 130772161

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-6-nitro-1H-benzimidazole?
The IUPAC name of 4,7-dichloro-6-nitro-1H-benzimidazole (CID 95909581) is 4,7-dichloro-6-nitro-1H-benzimidazole.
What is the SMILES notation for 4,7-dichloro-6-nitro-1H-benzimidazole?
The canonical SMILES for 4,7-dichloro-6-nitro-1H-benzimidazole is O=[N+]([O-])c1cc(Cl)c2nc[nH]c2c1Cl.
What is the InChIKey of 4,7-dichloro-6-nitro-1H-benzimidazole?
The InChIKey is GVSJWTOVIVXXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N3O2/c8-3-1-4(12(13)14)5(9)7-6(3)10-2-11-7/h1-2H,(H,10,11).
What are the key properties of 4,7-dichloro-6-nitro-1H-benzimidazole?
4,7-dichloro-6-nitro-1H-benzimidazole has a molecular weight of 232.03 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-6-nitro-1H-benzimidazole is sourced from PubChem (CID 95909581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).