4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

C9H5Cl2N5O — CID 135493220

IUPAC4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H5Cl2N5O/c10-3-1-5-6(2-4(3)11)14-9(13-5)7-8(12)16-17-15-7/h1-2H,(H2,12,16)(H,13,14)
InChIKeyDWERVEPWWPNVTG-UHFFFAOYSA-N
MW270.08 g/mol
LogP2.50
Rot. Bonds1

About 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine

4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (PubChem CID 135493220) has the molecular formula C9H5Cl2N5O and a molecular weight of 270.08 g/mol. Its IUPAC name is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
PubChem CID135493220
Molecular FormulaC9H5Cl2N5O
Molecular Weight270.08 g/mol
Exact Mass268.99
IUPAC Name4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2cc(Cl)c(Cl)cc2[nH]1
InChIInChI=1S/C9H5Cl2N5O/c10-3-1-5-6(2-4(3)11)14-9(13-5)7-8(12)16-17-15-7/h1-2H,(H2,12,16)(H,13,14)
InChIKeyDWERVEPWWPNVTG-UHFFFAOYSA-N
XLogP2.50
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.08
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine (CID 135493220) is 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2cc(Cl)c(Cl)cc2[nH]1.
What is the InChIKey of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
The InChIKey is DWERVEPWWPNVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N5O/c10-3-1-5-6(2-4(3)11)14-9(13-5)7-8(12)16-17-15-7/h1-2H,(H2,12,16)(H,13,14).
What are the key properties of 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine?
4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine has a molecular weight of 270.08 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 135493220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).