5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one

C12H7Cl2N3O — CID 122656477

IUPAC5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cncc3Cl)cc2[nH]1
InChIInChI=1S/C12H7Cl2N3O/c13-7-4-15-5-8(14)11(7)6-1-2-9-10(3-6)17-12(18)16-9/h1-5H,(H2,16,17,18)
InChIKeyAEVUQCCUVBVJRA-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.22
Rot. Bonds1

About 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one

5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656477) has the molecular formula C12H7Cl2N3O and a molecular weight of 280.11 g/mol. Its IUPAC name is 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656477
Molecular FormulaC12H7Cl2N3O
Molecular Weight280.11 g/mol
Exact Mass279.00
IUPAC Name5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cncc3Cl)cc2[nH]1
InChIInChI=1S/C12H7Cl2N3O/c13-7-4-15-5-8(14)11(7)6-1-2-9-10(3-6)17-12(18)16-9/h1-5H,(H2,16,17,18)
InChIKeyAEVUQCCUVBVJRA-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-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one (CID 122656477) is 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cncc3Cl)cc2[nH]1.
What is the InChIKey of 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is AEVUQCCUVBVJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O/c13-7-4-15-5-8(14)11(7)6-1-2-9-10(3-6)17-12(18)16-9/h1-5H,(H2,16,17,18).
What are the key properties of 5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one?
5-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-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-(3,5-dichloro-4-pyridinyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).