3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine

C11H7Cl2N5 — CID 82004279

IUPAC3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H7Cl2N5/c12-5-3-7-8(4-6(5)13)18-11(17-7)9-10(14)16-2-1-15-9/h1-4H,(H2,14,16)(H,17,18)
InChIKeyLGKSLNRDOHPZSQ-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.91
Rot. Bonds1

About 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine

3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine (PubChem CID 82004279) has the molecular formula C11H7Cl2N5 and a molecular weight of 280.12 g/mol. Its IUPAC name is 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine
PubChem CID82004279
Molecular FormulaC11H7Cl2N5
Molecular Weight280.12 g/mol
Exact Mass279.01
IUPAC Name3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine
SMILESNc1nccnc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C11H7Cl2N5/c12-5-3-7-8(4-6(5)13)18-11(17-7)9-10(14)16-2-1-15-9/h1-4H,(H2,14,16)(H,17,18)
InChIKeyLGKSLNRDOHPZSQ-UHFFFAOYSA-N
XLogP2.91
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 135493220
5-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001524
3-chloro-2-(5,6-dichloro-1H-benzimidazol-2-yl)aniline
CID 82001058
6-(5,6-dichloro-1H-benzimidazol-2-yl)pyridin-2-amine
CID 82001599
4-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyrazol-5-amine
CID 82001359
5,6-dichloro-2-(4-fluorophenyl)-1H-benzimidazole
CID 4915231
5,6-dichloro-2-(3,5-difluorophenyl)-1H-benzimidazole
CID 82005304
5-(5,6-dichloro-1H-benzimidazol-2-yl)-2-methylaniline
CID 82003874
6,7-dichloro-3-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-quinoxalin-2-one
CID 162410075
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
CID 78912108
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
4-(5,6-dichloro-1H-benzimidazol-2-yl)-3-fluorophenol
CID 136751628

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine?
The IUPAC name of 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine (CID 82004279) is 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine.
What is the SMILES notation for 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine?
The canonical SMILES for 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine is Nc1nccnc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine?
The InChIKey is LGKSLNRDOHPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2N5/c12-5-3-7-8(4-6(5)13)18-11(17-7)9-10(14)16-2-1-15-9/h1-4H,(H2,14,16)(H,17,18).
What are the key properties of 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine?
3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine has a molecular weight of 280.12 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dichloro-1H-benzimidazol-2-yl)pyrazin-2-amine is sourced from PubChem (CID 82004279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).