[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C21H25FN3O2+ — CID 8830405

IUPAC[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N2CCNC2=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H24FN3O2/c1-3-15-7-9-16(10-8-15)19(17-5-4-6-18(22)13-17)24-14(2)20(26)25-12-11-23-21(25)27/h4-10,13-14,19,24H,3,11-12H2,1-2H3,(H,23,27)/p+1/t14-,19+/m0/s1
InChIKeyMIBPWCHQMMVZNO-IFXJQAMLSA-O
MW370.45 g/mol
LogP1.98
Rot. Bonds6

About [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8830405) has the molecular formula C21H25FN3O2+ and a molecular weight of 370.45 g/mol. Its IUPAC name is [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8830405
Molecular FormulaC21H25FN3O2+
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESCCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N2CCNC2=O)c2cccc(F)c2)cc1
InChIInChI=1S/C21H24FN3O2/c1-3-15-7-9-16(10-8-15)19(17-5-4-6-18(22)13-17)24-14(2)20(26)25-12-11-23-21(25)27/h4-10,13-14,19,24H,3,11-12H2,1-2H3,(H,23,27)/p+1/t14-,19+/m0/s1
InChIKeyMIBPWCHQMMVZNO-IFXJQAMLSA-O
XLogP1.98
TPSA66.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8830016
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]-[(R)-phenyl(thiophen-2-yl)methyl]azanium
CID 8866682
(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8996249
[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8774439
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8720126
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 18091092
[2-(2,6-difluoroanilino)-2-oxoethyl]-[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]azanium
CID 8719937
[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8639878
1-[2-[(3-fluorophenyl)methyl-methylamino]acetyl]imidazolidin-2-one
CID 8909124
1-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propanoyl]imidazolidin-2-one
CID 45351245
[(S)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[2-(methylcarbamoylamino)-2-oxoethyl]azanium
CID 8720093

Frequently Asked Questions

What is the IUPAC name of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8830405) is [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is CCc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N2CCNC2=O)c2cccc(F)c2)cc1.
What is the InChIKey of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is MIBPWCHQMMVZNO-IFXJQAMLSA-O. The full InChI is InChI=1S/C21H24FN3O2/c1-3-15-7-9-16(10-8-15)19(17-5-4-6-18(22)13-17)24-14(2)20(26)25-12-11-23-21(25)27/h4-10,13-14,19,24H,3,11-12H2,1-2H3,(H,23,27)/p+1/t14-,19+/m0/s1.
What are the key properties of [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
[(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 370.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(4-ethylphenyl)-(3-fluorophenyl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8830405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).