(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium

C21H25ClN3O2+ — CID 7480340

IUPAC(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
SMILESC[NH+](Cc1cccc(Cl)c1)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C21H24ClN3O2/c1-21(12-11-16-7-4-3-5-8-16)19(26)25(20(27)23-21)15-24(2)14-17-9-6-10-18(22)13-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1
InChIKeyDXQNHJCRHCFYTJ-OAQYLSRUSA-O
MW386.90 g/mol
LogP2.26
Rot. Bonds7

About (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium

(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium (PubChem CID 7480340) has the molecular formula C21H25ClN3O2+ and a molecular weight of 386.90 g/mol. Its IUPAC name is (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Name(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
PubChem CID7480340
Molecular FormulaC21H25ClN3O2+
Molecular Weight386.90 g/mol
Exact Mass386.16
IUPAC Name(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium
SMILESC[NH+](Cc1cccc(Cl)c1)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O
InChIInChI=1S/C21H24ClN3O2/c1-21(12-11-16-7-4-3-5-8-16)19(26)25(20(27)23-21)15-24(2)14-17-9-6-10-18(22)13-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1
InChIKeyDXQNHJCRHCFYTJ-OAQYLSRUSA-O
XLogP2.26
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.90
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9169331
(4-chlorophenyl)methyl-[[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-methylazanium
CID 9170540
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
(5R)-3-[2-(2,4-dichlorophenoxy)ethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170722
N-(2,4-dichlorophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2449403
(5S)-5-methyl-3-(morpholin-4-ium-4-ylmethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7479984
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
benzyl-[(5,6-dichloro-1,3-dioxoisoindol-2-yl)methyl]-methylazanium
CID 7911038
(5R)-3-[2-(3,4-difluorophenyl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170756
(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9332435
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium?
The IUPAC name of (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium (CID 7480340) is (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium?
The canonical SMILES for (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium is C[NH+](Cc1cccc(Cl)c1)CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O.
What is the InChIKey of (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium?
The InChIKey is DXQNHJCRHCFYTJ-OAQYLSRUSA-O. The full InChI is InChI=1S/C21H24ClN3O2/c1-21(12-11-16-7-4-3-5-8-16)19(26)25(20(27)23-21)15-24(2)14-17-9-6-10-18(22)13-17/h3-10,13H,11-12,14-15H2,1-2H3,(H,23,27)/p+1/t21-/m1/s1.
What are the key properties of (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium?
(3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium has a molecular weight of 386.90 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl-methyl-[[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 7480340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).