3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione

C15H20ClN3O3 — CID 82148435

IUPAC3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CCOCCN)C2=O)ccc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-10-9-11(3-4-12(10)16)15(2)13(20)19(14(21)18-15)6-8-22-7-5-17/h3-4,9H,5-8,17H2,1-2H3,(H,18,21)
InChIKeyISEHRYWBTZBXHX-UHFFFAOYSA-N
MW325.80 g/mol
LogP1.39
Rot. Bonds6

About 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione

3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 82148435) has the molecular formula C15H20ClN3O3 and a molecular weight of 325.80 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione
PubChem CID82148435
Molecular FormulaC15H20ClN3O3
Molecular Weight325.80 g/mol
Exact Mass325.12
IUPAC Name3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione
SMILESCc1cc(C2(C)NC(=O)N(CCOCCN)C2=O)ccc1Cl
InChIInChI=1S/C15H20ClN3O3/c1-10-9-11(3-4-12(10)16)15(2)13(20)19(14(21)18-15)6-8-22-7-5-17/h3-4,9H,5-8,17H2,1-2H3,(H,18,21)
InChIKeyISEHRYWBTZBXHX-UHFFFAOYSA-N
XLogP1.39
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-butoxyethyl)-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 60524179
2-[(4R)-4-(4-chloro-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 94752282
(5S)-5-(3,4-dichlorophenyl)-5-methyl-3-(2-propan-2-yloxyethyl)imidazolidine-2,4-dione
CID 51933134
5-(4-chlorophenyl)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methylimidazolidine-2,4-dione
CID 4025204
3-(2-aminoethyl)-5-(3,4-dimethoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 82147846
5-(4-chlorophenyl)-5-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazolidine-2,4-dione
CID 47772363
5-(4-chlorophenyl)-5-methyl-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 4671924
(5R)-3-[2-(4-bromophenoxy)ethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 2093930
3-[1-[2-(4-chlorophenoxy)ethyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 60617429
3-[2-(2,6-dichlorophenoxy)ethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4826856
5-(3,4-difluorophenyl)-5-methyl-3-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazolidine-2,4-dione
CID 46640786
5-(3,4-difluorophenyl)-5-methyl-3-propylimidazolidine-2,4-dione
CID 24523455

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione (CID 82148435) is 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione is Cc1cc(C2(C)NC(=O)N(CCOCCN)C2=O)ccc1Cl.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is ISEHRYWBTZBXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3/c1-10-9-11(3-4-12(10)16)15(2)13(20)19(14(21)18-15)6-8-22-7-5-17/h3-4,9H,5-8,17H2,1-2H3,(H,18,21).
What are the key properties of 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione?
3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 325.80 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl]-5-(4-chloro-3-methylphenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 82148435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).