5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one

C22H14ClN3O2 — CID 123652402

IUPAC5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(-c3ccc(-c4ccc(-c5ncco5)cc4)cc3)cc2[nH]1
InChIInChI=1S/C22H14ClN3O2/c23-18-12-20-19(25-22(27)26-20)11-17(18)15-5-1-13(2-6-15)14-3-7-16(8-4-14)21-24-9-10-28-21/h1-12H,(H2,25,26,27)
InChIKeyATDSQDOJZRKBIW-UHFFFAOYSA-N
MW387.83 g/mol
LogP5.50
Rot. Bonds3

About 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one

5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 123652402) has the molecular formula C22H14ClN3O2 and a molecular weight of 387.83 g/mol. Its IUPAC name is 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID123652402
Molecular FormulaC22H14ClN3O2
Molecular Weight387.83 g/mol
Exact Mass387.08
IUPAC Name5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(-c3ccc(-c4ccc(-c5ncco5)cc4)cc3)cc2[nH]1
InChIInChI=1S/C22H14ClN3O2/c23-18-12-20-19(25-22(27)26-20)11-17(18)15-5-1-13(2-6-15)14-3-7-16(8-4-14)21-24-9-10-28-21/h1-12H,(H2,25,26,27)
InChIKeyATDSQDOJZRKBIW-UHFFFAOYSA-N
XLogP5.50
TPSA74.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.83
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one (CID 123652402) is 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Cl)c(-c3ccc(-c4ccc(-c5ncco5)cc4)cc3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is ATDSQDOJZRKBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClN3O2/c23-18-12-20-19(25-22(27)26-20)11-17(18)15-5-1-13(2-6-15)14-3-7-16(8-4-14)21-24-9-10-28-21/h1-12H,(H2,25,26,27).
What are the key properties of 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one?
5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 387.83 g/mol, XLogP of 5.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[4-[4-(1,3-oxazol-2-yl)phenyl]phenyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 123652402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).