5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione

C12H5Cl2N3O2 — CID 500949

IUPAC5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2[nH]c(-c3ccccn3)nc21
InChIInChI=1S/C12H5Cl2N3O2/c13-6-7(14)11(19)9-8(10(6)18)16-12(17-9)5-3-1-2-4-15-5/h1-4H,(H,16,17)
InChIKeyPXCDFHDNVMXKSR-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.54
Rot. Bonds1

About 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione

5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione (PubChem CID 500949) has the molecular formula C12H5Cl2N3O2 and a molecular weight of 294.10 g/mol. Its IUPAC name is 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione.

Molecular Properties

Compound Name5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
PubChem CID500949
Molecular FormulaC12H5Cl2N3O2
Molecular Weight294.10 g/mol
Exact Mass292.98
IUPAC Name5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione
SMILESO=C1C(Cl)=C(Cl)C(=O)c2[nH]c(-c3ccccn3)nc21
InChIInChI=1S/C12H5Cl2N3O2/c13-6-7(14)11(19)9-8(10(6)18)16-12(17-9)5-3-1-2-4-15-5/h1-4H,(H,16,17)
InChIKeyPXCDFHDNVMXKSR-UHFFFAOYSA-N
XLogP2.54
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-hydroxyphenyl)-2-pyridin-2-yl-1H-imidazol-5-yl]phenol
CID 135859941
2-[4-(3,5-dichlorophenyl)-5-phenyl-1H-imidazol-2-yl]pyridine
CID 150454415
2-[2-(4-chlorophenyl)-4-pyridin-2-yl-1H-imidazol-5-yl]pyridine
CID 11099647
2-[4,5-bis[4-(1,2,2-triphenylethenyl)phenyl]-1H-imidazol-2-yl]pyridine
CID 162716933
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
7-chloro-6-methoxy-2-pyridin-2-ylquinoline-5,8-dione
CID 71400660
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
4-hydroxy-5-iodo-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 66285358
7,7-dimethyl-2-pyridin-2-yl-1,5,6,8-tetrahydroimidazo[4,5-c]azepin-4-one
CID 72925991
CID 176706705
CID 176706705
5-fluoro-4-hydroxy-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 144858847
2-chloro-5-pyridin-2-yl-1H-pyrimidin-6-one
CID 117260659

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione?
The IUPAC name of 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione (CID 500949) is 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione.
What is the SMILES notation for 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione?
The canonical SMILES for 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione is O=C1C(Cl)=C(Cl)C(=O)c2[nH]c(-c3ccccn3)nc21.
What is the InChIKey of 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione?
The InChIKey is PXCDFHDNVMXKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl2N3O2/c13-6-7(14)11(19)9-8(10(6)18)16-12(17-9)5-3-1-2-4-15-5/h1-4H,(H,16,17).
What are the key properties of 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione?
5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione has a molecular weight of 294.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-pyridin-2-yl-1H-benzimidazole-4,7-dione is sourced from PubChem (CID 500949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).