5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one

C13H9ClN2O2 — CID 144737861

IUPAC5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C13H9ClN2O2/c14-9-6-10-11(16-13(17)15-10)7-12(9)18-8-4-2-1-3-5-8/h1-7H,(H2,15,16,17)
InChIKeyWHZZWTORKWXAQD-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.30
Rot. Bonds2

About 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one

5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one (PubChem CID 144737861) has the molecular formula C13H9ClN2O2 and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one
PubChem CID144737861
Molecular FormulaC13H9ClN2O2
Molecular Weight260.68 g/mol
Exact Mass260.04
IUPAC Name5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(Cl)c(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C13H9ClN2O2/c14-9-6-10-11(16-13(17)15-10)7-12(9)18-8-4-2-1-3-5-8/h1-7H,(H2,15,16,17)
InChIKeyWHZZWTORKWXAQD-UHFFFAOYSA-N
XLogP3.30
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one (CID 144737861) is 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(Cl)c(Oc3ccccc3)cc2[nH]1.
What is the InChIKey of 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WHZZWTORKWXAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O2/c14-9-6-10-11(16-13(17)15-10)7-12(9)18-8-4-2-1-3-5-8/h1-7H,(H2,15,16,17).
What are the key properties of 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one?
5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one has a molecular weight of 260.68 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-phenoxy-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 144737861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).