2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine

C20H21N5O3 — CID 145280331

IUPAC2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine
SMILESC[C@](C=O)(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N=C(N)N
InChIInChI=1S/C20H21N5O3/c1-19(13-26,23-17(21)22)12-25-16(27)20(24-18(25)28,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,24,28)(H4,21,22,23)/t19-/m1/s1
InChIKeyQRPMOIUNJBQQHO-LJQANCHMSA-N
MW379.42 g/mol
LogP0.71
Rot. Bonds6

About 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine

2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine (PubChem CID 145280331) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine.

Molecular Properties

Compound Name2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine
PubChem CID145280331
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine
SMILESC[C@](C=O)(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N=C(N)N
InChIInChI=1S/C20H21N5O3/c1-19(13-26,23-17(21)22)12-25-16(27)20(24-18(25)28,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,24,28)(H4,21,22,23)/t19-/m1/s1
InChIKeyQRPMOIUNJBQQHO-LJQANCHMSA-N
XLogP0.71
TPSA130.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine?
The IUPAC name of 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine (CID 145280331) is 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine.
What is the SMILES notation for 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine?
The canonical SMILES for 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine is C[C@](C=O)(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N=C(N)N.
What is the InChIKey of 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine?
The InChIKey is QRPMOIUNJBQQHO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-19(13-26,23-17(21)22)12-25-16(27)20(24-18(25)28,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3,(H,24,28)(H4,21,22,23)/t19-/m1/s1.
What are the key properties of 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine?
2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine has a molecular weight of 379.42 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-2-methyl-3-oxopropan-2-yl]guanidine is sourced from PubChem (CID 145280331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).