5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione

C18H23N5O2 — CID 120972799

IUPAC5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione
SMILESCC1CN=C(NCc2cccc(N3C(=O)NC(C)(C4CC4)C3=O)c2)N1
InChIInChI=1S/C18H23N5O2/c1-11-9-19-16(21-11)20-10-12-4-3-5-14(8-12)23-15(24)18(2,13-6-7-13)22-17(23)25/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,22,25)(H2,19,20,21)
InChIKeyXEOQUEUENDKPGL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.35
Rot. Bonds4

About 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione

5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione (PubChem CID 120972799) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione
PubChem CID120972799
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione
SMILESCC1CN=C(NCc2cccc(N3C(=O)NC(C)(C4CC4)C3=O)c2)N1
InChIInChI=1S/C18H23N5O2/c1-11-9-19-16(21-11)20-10-12-4-3-5-14(8-12)23-15(24)18(2,13-6-7-13)22-17(23)25/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,22,25)(H2,19,20,21)
InChIKeyXEOQUEUENDKPGL-UHFFFAOYSA-N
XLogP1.35
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione (CID 120972799) is 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione is CC1CN=C(NCc2cccc(N3C(=O)NC(C)(C4CC4)C3=O)c2)N1.
What is the InChIKey of 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione?
The InChIKey is XEOQUEUENDKPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-9-19-16(21-11)20-10-12-4-3-5-14(8-12)23-15(24)18(2,13-6-7-13)22-17(23)25/h3-5,8,11,13H,6-7,9-10H2,1-2H3,(H,22,25)(H2,19,20,21).
What are the key properties of 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 341.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-methyl-3-[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 120972799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).