5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one

C15H15N3O3 — CID 118896620

IUPAC5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Oc3cccc(O)c3)c(N)cc21
InChIInChI=1S/C15H15N3O3/c1-17-12-7-11(16)14(8-13(12)18(2)15(17)20)21-10-5-3-4-9(19)6-10/h3-8,19H,16H2,1-2H3
InChIKeyILTFHEUCZSGPQB-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.96
Rot. Bonds2

About 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one

5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one (PubChem CID 118896620) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one
PubChem CID118896620
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(Oc3cccc(O)c3)c(N)cc21
InChIInChI=1S/C15H15N3O3/c1-17-12-7-11(16)14(8-13(12)18(2)15(17)20)21-10-5-3-4-9(19)6-10/h3-8,19H,16H2,1-2H3
InChIKeyILTFHEUCZSGPQB-UHFFFAOYSA-N
XLogP1.96
TPSA82.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one (CID 118896620) is 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(Oc3cccc(O)c3)c(N)cc21.
What is the InChIKey of 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is ILTFHEUCZSGPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-17-12-7-11(16)14(8-13(12)18(2)15(17)20)21-10-5-3-4-9(19)6-10/h3-8,19H,16H2,1-2H3.
What are the key properties of 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one?
5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 285.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(3-hydroxyphenoxy)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 118896620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).