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

C12H7Cl2N3O — CID 1471025

IUPAC5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c[nH]1
InChIInChI=1S/C12H7Cl2N3O/c13-7-3-9-10(4-8(7)14)17-12(16-9)6-1-2-11(18)15-5-6/h1-5H,(H,15,18)(H,16,17)
InChIKeyRWHKVVFAOLPLGA-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.22
Rot. Bonds1

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

5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 1471025) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID1471025
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESO=c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c[nH]1
InChIInChI=1S/C12H7Cl2N3O/c13-7-3-9-10(4-8(7)14)17-12(16-9)6-1-2-11(18)15-5-6/h1-5H,(H,15,18)(H,16,17)
InChIKeyRWHKVVFAOLPLGA-UHFFFAOYSA-N
XLogP3.22
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 1471025) is 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one is O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c[nH]1.
What is the InChIKey of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is RWHKVVFAOLPLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-7-3-9-10(4-8(7)14)17-12(16-9)6-1-2-11(18)15-5-6/h1-5H,(H,15,18)(H,16,17).
What are the key properties of 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 280.11 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dichloro-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 1471025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).