6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine

C12H8Cl2N4 — CID 82001599

IUPAC6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESNc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1
InChIInChI=1S/C12H8Cl2N4/c13-6-4-9-10(5-7(6)14)18-12(17-9)8-2-1-3-11(15)16-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyYXYXLERCIIEICM-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.51
Rot. Bonds1

About 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine

6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine (PubChem CID 82001599) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
PubChem CID82001599
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
SMILESNc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1
InChIInChI=1S/C12H8Cl2N4/c13-6-4-9-10(5-7(6)14)18-12(17-9)8-2-1-3-11(15)16-8/h1-5H,(H2,15,16)(H,17,18)
InChIKeyYXYXLERCIIEICM-UHFFFAOYSA-N
XLogP3.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
benzene-1,2-diamine;6-(1H-benzimidazol-2-yl)pyridin-2-amine
CID 159111206
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine
CID 82004279
2-(2-bromo-6-fluorophenyl)-5,6-dichloro-1H-benzimidazole
CID 114560131
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
2-chloro-6-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 107049902
2-(6-bromo-2-pyridinyl)-3H-benzimidazol-5-amine
CID 143074380

Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
The IUPAC name of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine (CID 82001599) is 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
The canonical SMILES for 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine is Nc1cccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)n1.
What is the InChIKey of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
The InChIKey is YXYXLERCIIEICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-6-4-9-10(5-7(6)14)18-12(17-9)8-2-1-3-11(15)16-8/h1-5H,(H2,15,16)(H,17,18).
What are the key properties of 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine?
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine has a molecular weight of 279.13 g/mol, XLogP of 3.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine is sourced from PubChem (CID 82001599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).