5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one

C18H12ClN3O2 — CID 122667682

IUPAC5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3-c3cncc(O)c3)cc2[nH]1
InChIInChI=1S/C18H12ClN3O2/c19-14-3-1-2-13(11-6-12(23)9-20-8-11)17(14)10-4-5-15-16(7-10)22-18(24)21-15/h1-9,23H,(H2,21,22,24)
InChIKeyLWQBPVJKXVJQOG-UHFFFAOYSA-N
MW337.77 g/mol
LogP3.94
Rot. Bonds2

About 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one

5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 122667682) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID122667682
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(-c3c(Cl)cccc3-c3cncc(O)c3)cc2[nH]1
InChIInChI=1S/C18H12ClN3O2/c19-14-3-1-2-13(11-6-12(23)9-20-8-11)17(14)10-4-5-15-16(7-10)22-18(24)21-15/h1-9,23H,(H2,21,22,24)
InChIKeyLWQBPVJKXVJQOG-UHFFFAOYSA-N
XLogP3.94
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one (CID 122667682) is 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(-c3c(Cl)cccc3-c3cncc(O)c3)cc2[nH]1.
What is the InChIKey of 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LWQBPVJKXVJQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c19-14-3-1-2-13(11-6-12(23)9-20-8-11)17(14)10-4-5-15-16(7-10)22-18(24)21-15/h1-9,23H,(H2,21,22,24).
What are the key properties of 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 337.77 g/mol, XLogP of 3.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-6-(5-hydroxy-3-pyridinyl)phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122667682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).