(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

C22H24FN3O2 — CID 9285693

IUPAC(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CN(Cc3ccc(F)cc3)C3CC3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C22H24FN3O2/c1-15-3-9-20(10-4-15)26-16(2)21(27)25(22(26)28)14-24(19-11-12-19)13-17-5-7-18(23)8-6-17/h3-10,16,19H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyINUKOPQCFIZPMB-INIZCTEOSA-N
MW381.45 g/mol
LogP3.91
Rot. Bonds6

About (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione

(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (PubChem CID 9285693) has the molecular formula C22H24FN3O2 and a molecular weight of 381.45 g/mol. Its IUPAC name is (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
PubChem CID9285693
Molecular FormulaC22H24FN3O2
Molecular Weight381.45 g/mol
Exact Mass381.19
IUPAC Name(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione
SMILESCc1ccc(N2C(=O)N(CN(Cc3ccc(F)cc3)C3CC3)C(=O)[C@@H]2C)cc1
InChIInChI=1S/C22H24FN3O2/c1-15-3-9-20(10-4-15)26-16(2)21(27)25(22(26)28)14-24(19-11-12-19)13-17-5-7-18(23)8-6-17/h3-10,16,19H,11-14H2,1-2H3/t16-/m0/s1
InChIKeyINUKOPQCFIZPMB-INIZCTEOSA-N
XLogP3.91
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione (CID 9285693) is (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is Cc1ccc(N2C(=O)N(CN(Cc3ccc(F)cc3)C3CC3)C(=O)[C@@H]2C)cc1.
What is the InChIKey of (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
The InChIKey is INUKOPQCFIZPMB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN3O2/c1-15-3-9-20(10-4-15)26-16(2)21(27)25(22(26)28)14-24(19-11-12-19)13-17-5-7-18(23)8-6-17/h3-10,16,19H,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione?
(5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione has a molecular weight of 381.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[[cyclopropyl-[(4-fluorophenyl)methyl]amino]methyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9285693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).