4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane

C16H26Cl2N2O3 — CID 163241122

IUPAC4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane
SMILESCC.CC.O=C1NC(c2c(O)ccc(Cl)c2Cl)CN1CCCO
InChIInChI=1S/C12H14Cl2N2O3.2C2H6/c13-7-2-3-9(18)10(11(7)14)8-6-16(4-1-5-17)12(19)15-8;2*1-2/h2-3,8,17-18H,1,4-6H2,(H,15,19);2*1-2H3
InChIKeyCJSUTMGLCRDXSF-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.20
Rot. Bonds4

About 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane

4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane (PubChem CID 163241122) has the molecular formula C16H26Cl2N2O3 and a molecular weight of 365.30 g/mol. Its IUPAC name is 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane.

Molecular Properties

Compound Name4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane
PubChem CID163241122
Molecular FormulaC16H26Cl2N2O3
Molecular Weight365.30 g/mol
Exact Mass364.13
IUPAC Name4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane
SMILESCC.CC.O=C1NC(c2c(O)ccc(Cl)c2Cl)CN1CCCO
InChIInChI=1S/C12H14Cl2N2O3.2C2H6/c13-7-2-3-9(18)10(11(7)14)8-6-16(4-1-5-17)12(19)15-8;2*1-2/h2-3,8,17-18H,1,4-6H2,(H,15,19);2*1-2H3
InChIKeyCJSUTMGLCRDXSF-UHFFFAOYSA-N
XLogP4.20
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane?
The IUPAC name of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane (CID 163241122) is 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane.
What is the SMILES notation for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane?
The canonical SMILES for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane is CC.CC.O=C1NC(c2c(O)ccc(Cl)c2Cl)CN1CCCO.
What is the InChIKey of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane?
The InChIKey is CJSUTMGLCRDXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3.2C2H6/c13-7-2-3-9(18)10(11(7)14)8-6-16(4-1-5-17)12(19)15-8;2*1-2/h2-3,8,17-18H,1,4-6H2,(H,15,19);2*1-2H3.
What are the key properties of 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane?
4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane has a molecular weight of 365.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloro-6-hydroxyphenyl)-1-(3-hydroxypropyl)imidazolidin-2-one;ethane is sourced from PubChem (CID 163241122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).