5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine

C13H7Cl4N3 — CID 24970680

IUPAC5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
SMILESClc1ccc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C13H7Cl4N3/c14-7-2-1-6(3-8(7)15)18-13-19-11-4-9(16)10(17)5-12(11)20-13/h1-5H,(H2,18,19,20)
InChIKeyOGRMLWZQTQLAAX-UHFFFAOYSA-N
MW347.03 g/mol
LogP5.92
Rot. Bonds2

About 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine

5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine (PubChem CID 24970680) has the molecular formula C13H7Cl4N3 and a molecular weight of 347.03 g/mol. Its IUPAC name is 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
PubChem CID24970680
Molecular FormulaC13H7Cl4N3
Molecular Weight347.03 g/mol
Exact Mass344.94
IUPAC Name5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine
SMILESClc1ccc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl
InChIInChI=1S/C13H7Cl4N3/c14-7-2-1-6(3-8(7)15)18-13-19-11-4-9(16)10(17)5-12(11)20-13/h1-5H,(H2,18,19,20)
InChIKeyOGRMLWZQTQLAAX-UHFFFAOYSA-N
XLogP5.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.03
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine (CID 24970680) is 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine is Clc1ccc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)cc1Cl.
What is the InChIKey of 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine?
The InChIKey is OGRMLWZQTQLAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl4N3/c14-7-2-1-6(3-8(7)15)18-13-19-11-4-9(16)10(17)5-12(11)20-13/h1-5H,(H2,18,19,20).
What are the key properties of 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine?
5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine has a molecular weight of 347.03 g/mol, XLogP of 5.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-(3,4-dichlorophenyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 24970680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).