(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium

C20H27ClN3O4+ — CID 9332785

IUPAC(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CN1C(=O)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O
InChIInChI=1S/C20H26ClN3O4/c1-13-6-4-5-7-16(13)24-19(26)18(25)23(20(24)27)12-22(2)11-14-10-15(21)8-9-17(14)28-3/h8-10,13,16H,4-7,11-12H2,1-3H3/p+1/t13-,16-/m1/s1
InChIKeyKYJIVLBJSYOZRO-CZUORRHYSA-O
MW408.91 g/mol
LogP1.69
Rot. Bonds6

About (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium

(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium (PubChem CID 9332785) has the molecular formula C20H27ClN3O4+ and a molecular weight of 408.91 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
PubChem CID9332785
Molecular FormulaC20H27ClN3O4+
Molecular Weight408.91 g/mol
Exact Mass408.17
IUPAC Name(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium
SMILESCOc1ccc(Cl)cc1C[NH+](C)CN1C(=O)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O
InChIInChI=1S/C20H26ClN3O4/c1-13-6-4-5-7-16(13)24-19(26)18(25)23(20(24)27)12-22(2)11-14-10-15(21)8-9-17(14)28-3/h8-10,13,16H,4-7,11-12H2,1-3H3/p+1/t13-,16-/m1/s1
InChIKeyKYJIVLBJSYOZRO-CZUORRHYSA-O
XLogP1.69
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]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

N-(5-chloro-2-methoxyphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800623
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1R,2R)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607595
1-[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl]-3-[(1S,2S)-2-methylcyclohexyl]imidazolidine-2,4,5-trione
CID 8607614
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136682
(5-chloro-2-methoxyphenyl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 9136688
N-(5-chloro-2-methylphenyl)-2-[3-[(1R,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800369
(5-chloro-2-methoxyphenyl)methyl-methyl-[[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]methyl]azanium
CID 9332435
(5-chloro-2-methoxyphenyl)methyl-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]-methylazanium
CID 9332428
2-(5-chloro-2-methoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 9084409
1-[(5-chloro-2-methoxyphenyl)methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 8851903
(5-chloro-2-methoxyphenyl)methyl-methyl-[(5-oxo-4-phenyltetrazol-1-yl)methyl]azanium
CID 9332981
N-[2-(4-chlorophenoxy)ethyl]-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 11929755

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
The IUPAC name of (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium (CID 9332785) is (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
The canonical SMILES for (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium is COc1ccc(Cl)cc1C[NH+](C)CN1C(=O)C(=O)N([C@@H]2CCCC[C@H]2C)C1=O.
What is the InChIKey of (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
The InChIKey is KYJIVLBJSYOZRO-CZUORRHYSA-O. The full InChI is InChI=1S/C20H26ClN3O4/c1-13-6-4-5-7-16(13)24-19(26)18(25)23(20(24)27)12-22(2)11-14-10-15(21)8-9-17(14)28-3/h8-10,13,16H,4-7,11-12H2,1-3H3/p+1/t13-,16-/m1/s1.
What are the key properties of (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium?
(5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium has a molecular weight of 408.91 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)methyl-methyl-[[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]methyl]azanium is sourced from PubChem (CID 9332785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).