3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione

C13H16ClN3O3 — CID 168637844

IUPAC3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2NCC(O)CCl)C1=O
InChIInChI=1S/C13H16ClN3O3/c1-8-12(19)17(13(20)16-8)11-5-3-2-4-10(11)15-7-9(18)6-14/h2-5,8-9,15,18H,6-7H2,1H3,(H,16,20)
InChIKeyRQMQTWZVHKMCEK-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.14
Rot. Bonds5

About 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione

3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 168637844) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione
PubChem CID168637844
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione
SMILESCC1NC(=O)N(c2ccccc2NCC(O)CCl)C1=O
InChIInChI=1S/C13H16ClN3O3/c1-8-12(19)17(13(20)16-8)11-5-3-2-4-10(11)15-7-9(18)6-14/h2-5,8-9,15,18H,6-7H2,1H3,(H,16,20)
InChIKeyRQMQTWZVHKMCEK-UHFFFAOYSA-N
XLogP1.14
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione (CID 168637844) is 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione is CC1NC(=O)N(c2ccccc2NCC(O)CCl)C1=O.
What is the InChIKey of 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is RQMQTWZVHKMCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-8-12(19)17(13(20)16-8)11-5-3-2-4-10(11)15-7-9(18)6-14/h2-5,8-9,15,18H,6-7H2,1H3,(H,16,20).
What are the key properties of 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione?
3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 297.74 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-chloro-2-hydroxypropyl)amino]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 168637844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).