5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one

C12H14ClN3O2 — CID 138390332

IUPAC5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H14ClN3O2/c1-6(2)16-10(11(14)15-12(16)18)7-3-4-9(17)8(13)5-7/h3-6,10,17H,1-2H3,(H2,14,15,18)
InChIKeyHXOCGIFTMALZQR-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.50
Rot. Bonds2

About 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one

5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one (PubChem CID 138390332) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
PubChem CID138390332
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(O)c(Cl)c1
InChIInChI=1S/C12H14ClN3O2/c1-6(2)16-10(11(14)15-12(16)18)7-3-4-9(17)8(13)5-7/h3-6,10,17H,1-2H3,(H2,14,15,18)
InChIKeyHXOCGIFTMALZQR-UHFFFAOYSA-N
XLogP2.50
TPSA76.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one (CID 138390332) is 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one is [H]/N=C1\NC(=O)N(C(C)C)C1c1ccc(O)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
The InChIKey is HXOCGIFTMALZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-6(2)16-10(11(14)15-12(16)18)7-3-4-9(17)8(13)5-7/h3-6,10,17H,1-2H3,(H2,14,15,18).
What are the key properties of 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one?
5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one has a molecular weight of 267.72 g/mol, XLogP of 2.50, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-hydroxyphenyl)-4-imino-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 138390332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).