3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one

C16H12Cl2N2O3 — CID 91417232

IUPAC3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2cccc(O)c2)c(O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c17-10-6-11(18)8-12(7-10)20-15(22)14(19-16(20)23)5-9-2-1-3-13(21)4-9/h1-4,6-8,21-22H,5H2,(H,19,23)
InChIKeyOTRBCCMHTBFCPS-UHFFFAOYSA-N
MW351.19 g/mol
LogP3.47
Rot. Bonds3

About 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one

3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one (PubChem CID 91417232) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one
PubChem CID91417232
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one
SMILESO=c1[nH]c(Cc2cccc(O)c2)c(O)n1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C16H12Cl2N2O3/c17-10-6-11(18)8-12(7-10)20-15(22)14(19-16(20)23)5-9-2-1-3-13(21)4-9/h1-4,6-8,21-22H,5H2,(H,19,23)
InChIKeyOTRBCCMHTBFCPS-UHFFFAOYSA-N
XLogP3.47
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one (CID 91417232) is 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one is O=c1[nH]c(Cc2cccc(O)c2)c(O)n1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one?
The InChIKey is OTRBCCMHTBFCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-10-6-11(18)8-12(7-10)20-15(22)14(19-16(20)23)5-9-2-1-3-13(21)4-9/h1-4,6-8,21-22H,5H2,(H,19,23).
What are the key properties of 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one?
3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one has a molecular weight of 351.19 g/mol, XLogP of 3.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-hydroxy-5-[(3-hydroxyphenyl)methyl]-1H-imidazol-2-one is sourced from PubChem (CID 91417232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).