(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

C14H19ClN3O2+ — CID 8541172

IUPAC(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESC[C@H](C(=O)N1CCNC1=O)[NH+](C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-10(13(19)18-8-7-16-14(18)20)17(2)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,20)/p+1/t10-/m1/s1
InChIKeyPMYVQPSFZMSYMM-SNVBAGLBSA-O
MW296.78 g/mol
LogP0.29
Rot. Bonds4

About (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium

(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (PubChem CID 8541172) has the molecular formula C14H19ClN3O2+ and a molecular weight of 296.78 g/mol. Its IUPAC name is (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
PubChem CID8541172
Molecular FormulaC14H19ClN3O2+
Molecular Weight296.78 g/mol
Exact Mass296.12
IUPAC Name(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
SMILESC[C@H](C(=O)N1CCNC1=O)[NH+](C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O2/c1-10(13(19)18-8-7-16-14(18)20)17(2)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,20)/p+1/t10-/m1/s1
InChIKeyPMYVQPSFZMSYMM-SNVBAGLBSA-O
XLogP0.29
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8794536
(4-ethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8695189
1-[(2R)-2-[(4-chlorophenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8541173
methyl-[(3-methylthiophen-2-yl)methyl]-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8804576
(3-methoxy-4-phenylmethoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8694080
1-[(2S)-2-(4-chloroanilino)propanoyl]imidazolidin-2-one
CID 39975330
methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028478
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-(4-chlorobenzoyl)piperidine-4-carboxylate
CID 8887423
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium
CID 8996249
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8517428

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The IUPAC name of (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium (CID 8541172) is (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium.
What is the SMILES notation for (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The canonical SMILES for (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is C[C@H](C(=O)N1CCNC1=O)[NH+](C)Cc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
The InChIKey is PMYVQPSFZMSYMM-SNVBAGLBSA-O. The full InChI is InChI=1S/C14H18ClN3O2/c1-10(13(19)18-8-7-16-14(18)20)17(2)9-11-3-5-12(15)6-4-11/h3-6,10H,7-9H2,1-2H3,(H,16,20)/p+1/t10-/m1/s1.
What are the key properties of (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium?
(4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium has a molecular weight of 296.78 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl-methyl-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]azanium is sourced from PubChem (CID 8541172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).