(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

C13H17ClN3O2+ — CID 9057785

IUPAC(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESC[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-16(8-10-4-2-3-5-11(10)14)9-12(18)17-7-6-15-13(17)19/h2-5H,6-9H2,1H3,(H,15,19)/p+1
InChIKeyZRXHQJILFXRDQA-UHFFFAOYSA-O
MW282.75 g/mol
LogP-0.09
Rot. Bonds4

About (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium

(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (PubChem CID 9057785) has the molecular formula C13H17ClN3O2+ and a molecular weight of 282.75 g/mol. Its IUPAC name is (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.

Molecular Properties

Compound Name(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
PubChem CID9057785
Molecular FormulaC13H17ClN3O2+
Molecular Weight282.75 g/mol
Exact Mass282.10
IUPAC Name(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium
SMILESC[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-16(8-10-4-2-3-5-11(10)14)9-12(18)17-7-6-15-13(17)19/h2-5H,6-9H2,1H3,(H,15,19)/p+1
InChIKeyZRXHQJILFXRDQA-UHFFFAOYSA-O
XLogP-0.09
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028478
(2-chlorophenyl)methyl-methyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium
CID 8542124
1-[(2S)-2-[(2-chlorophenyl)methylsulfanyl]propanoyl]imidazolidin-2-one
CID 99825904
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(2-chlorophenoxy)acetate
CID 8908985
1-[2-[[(1R)-1-(2-chlorophenyl)ethyl]-cyclopropylamino]acetyl]imidazolidin-2-one
CID 94531068
[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-[(2-chlorophenyl)methyl]-methylazanium
CID 8541970
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-phenylacetate
CID 7874639
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
CID 41402611
1-[2-[(1S)-1-(4-chlorophenyl)ethyl]sulfanylacetyl]imidazolidin-2-one
CID 94217685
2-(2-chlorophenyl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65449559
1-butanoylimidazolidin-2-one
CID 12771230

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The IUPAC name of (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium (CID 9057785) is (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium.
What is the SMILES notation for (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The canonical SMILES for (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is C[NH+](CC(=O)N1CCNC1=O)Cc1ccccc1Cl.
What is the InChIKey of (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
The InChIKey is ZRXHQJILFXRDQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H16ClN3O2/c1-16(8-10-4-2-3-5-11(10)14)9-12(18)17-7-6-15-13(17)19/h2-5H,6-9H2,1H3,(H,15,19)/p+1.
What are the key properties of (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium?
(2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium has a molecular weight of 282.75 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)methyl-methyl-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]azanium is sourced from PubChem (CID 9057785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).