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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Related Compounds

1-[(3-chloro-4-hydroxyphenyl)methyl]-1-[2-(2-methyl-2,3,7,7a-tetrahydro-1H-indol-3-yl)ethyl]-3-[3-(5-methyl-4,5-dihydro-1H-imidazol-4-yl)propyl]urea
CID 123408703
2-Chloro-4-[imino(pyrrolidin-1-yl)methyl]phenol hydrochloride
CID 136413241
2-Chloro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 136413242
1-[N-[N-[(Z)-1-(3-chloro-4-hydroxyphenyl)prop-1-enyl]-C-prop-1-en-2-ylcarbonimidoyl]-C-ethenylcarbonimidoyl]-3-[(6Z,7Z)-6-ethylidenedeca-7,9-dien-2-yl]urea
CID 137253941
1-[N-[N-[(Z)-1-(3-chloro-4-hydroxyphenyl)prop-1-enyl]-C-prop-1-en-2-ylcarbonimidoyl]-C-methylcarbonimidoyl]-3-[(Z,2R,6Z)-6-ethylidenenon-7-en-2-yl]urea
CID 137253942
1-[2-[(3-Chloro-4-hydroxyphenyl)methylamino]ethyl]imidazolidin-2-one
CID 142099020
2-Chloro-4-[[(1-methylpyrrolidin-3-yl)amino]methyl]phenol
CID 61681572
2-Chloro-4-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 61681752
1-[2-[(3-Chloro-4-hydroxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 61682249
2-Chloro-4-[[(1-ethylpyrrolidin-2-yl)methylamino]methyl]phenol
CID 61683755
2-Chloro-4-[[methyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63298237
2-Chloro-4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299775

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).