3-benzyl-6-phenoxy-1H-benzimidazol-2-one

C20H16N2O2 — CID 10335905

IUPAC3-benzyl-6-phenoxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Oc3ccccc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-20-21-18-13-17(24-16-9-5-2-6-10-16)11-12-19(18)22(20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,23)
InChIKeyOJSMJCXCJBPNHK-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.17
Rot. Bonds4

About 3-benzyl-6-phenoxy-1H-benzimidazol-2-one

3-benzyl-6-phenoxy-1H-benzimidazol-2-one (PubChem CID 10335905) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 3-benzyl-6-phenoxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-benzyl-6-phenoxy-1H-benzimidazol-2-one
PubChem CID10335905
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name3-benzyl-6-phenoxy-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(Oc3ccccc3)ccc2n1Cc1ccccc1
InChIInChI=1S/C20H16N2O2/c23-20-21-18-13-17(24-16-9-5-2-6-10-16)11-12-19(18)22(20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,23)
InChIKeyOJSMJCXCJBPNHK-UHFFFAOYSA-N
XLogP4.17
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-phenoxy-1H-benzimidazol-2-one?
The IUPAC name of 3-benzyl-6-phenoxy-1H-benzimidazol-2-one (CID 10335905) is 3-benzyl-6-phenoxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-benzyl-6-phenoxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-benzyl-6-phenoxy-1H-benzimidazol-2-one is O=c1[nH]c2cc(Oc3ccccc3)ccc2n1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-phenoxy-1H-benzimidazol-2-one?
The InChIKey is OJSMJCXCJBPNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c23-20-21-18-13-17(24-16-9-5-2-6-10-16)11-12-19(18)22(20)14-15-7-3-1-4-8-15/h1-13H,14H2,(H,21,23).
What are the key properties of 3-benzyl-6-phenoxy-1H-benzimidazol-2-one?
3-benzyl-6-phenoxy-1H-benzimidazol-2-one has a molecular weight of 316.36 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-phenoxy-1H-benzimidazol-2-one is sourced from PubChem (CID 10335905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).