(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one

C11H12Cl2N2O3 — CID 163241217

IUPAC(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N[C@@H](c2c(O)ccc(Cl)c2Cl)CN1CCO
InChIInChI=1S/C11H12Cl2N2O3/c12-6-1-2-8(17)9(10(6)13)7-5-15(3-4-16)11(18)14-7/h1-2,7,16-17H,3-5H2,(H,14,18)/t7-/m1/s1
InChIKeyYUJMMJQHJJGMCI-SSDOTTSWSA-N
MW291.13 g/mol
LogP1.76
Rot. Bonds3

About (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one

(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one (PubChem CID 163241217) has the molecular formula C11H12Cl2N2O3 and a molecular weight of 291.13 g/mol. Its IUPAC name is (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one
PubChem CID163241217
Molecular FormulaC11H12Cl2N2O3
Molecular Weight291.13 g/mol
Exact Mass290.02
IUPAC Name(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one
SMILESO=C1N[C@@H](c2c(O)ccc(Cl)c2Cl)CN1CCO
InChIInChI=1S/C11H12Cl2N2O3/c12-6-1-2-8(17)9(10(6)13)7-5-15(3-4-16)11(18)14-7/h1-2,7,16-17H,3-5H2,(H,14,18)/t7-/m1/s1
InChIKeyYUJMMJQHJJGMCI-SSDOTTSWSA-N
XLogP1.76
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.76
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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Related Compounds

1-[2-[(2R,4R)-4-(2,3-dichloro-6-hydroxyphenyl)-2-fluoropyrrolidin-1-yl]-2-oxoethyl]-3-(2-hydroxyethyl)-1-methylurea
CID 156723459
N-(((3R,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrrolidin-3-yl)methyl)-2-hydroxyacetamide
CID 165397484
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidiin-3-yl)-N-((R)-2-hydroxypropyl)aceta-mide
CID 165397502
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-1-((R)-2-(hydroxymethyl)aze-tidin-1-yl)ethan-1-one
CID 165397516
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-N-((S)-1-hydroxypropan-2-yl)acetamide
CID 165397517
2-((5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 165397520
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-1-((R)-3-hydroxypipeiridn-1-yl)ethan-1-one
CID 165397521
2-((5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-N-(2-hydroxyethyl)acetamide
CID 165397526
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-N-((R)-1-hydroxypropan-2-yl)acetamide
CID 165397537
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-N-((S)-2-hydroxypropyl)aceta-mide
CID 165397565
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-1-((S)-3-hydroxypiperidin-1-yl)ethan-1-one
CID 165397568
2-((3S,5R)-5-(2,3-dichloro-6-hydroxyphenyl)pyrro-lidin-3-yl)-1-((S)-2-(hydroxymethyl)aze-tidin-1-yl)ethan-1-one
CID 165397580

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one (CID 163241217) is (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one is O=C1N[C@@H](c2c(O)ccc(Cl)c2Cl)CN1CCO.
What is the InChIKey of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one?
The InChIKey is YUJMMJQHJJGMCI-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H12Cl2N2O3/c12-6-1-2-8(17)9(10(6)13)7-5-15(3-4-16)11(18)14-7/h1-2,7,16-17H,3-5H2,(H,14,18)/t7-/m1/s1.
What are the key properties of (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one?
(4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one has a molecular weight of 291.13 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3-dichloro-6-hydroxyphenyl)-1-(2-hydroxyethyl)imidazolidin-2-one is sourced from PubChem (CID 163241217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).