2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C26H25N3O5 — CID 19600585

IUPAC2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILES[H]/N=C(\OCC)c1ccc(C2(C)C(=O)N(CC(=O)O)C(=O)N2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H25N3O5/c1-3-34-23(27)19-10-12-21(13-11-19)26(2)24(32)28(16-22(30)31)25(33)29(26)15-17-8-9-18-6-4-5-7-20(18)14-17/h4-14,27H,3,15-16H2,1-2H3,(H,30,31)/b27-23-
InChIKeyYDYMHPNAZPAVSN-VYIQYICTSA-N
MW459.50 g/mol
LogP3.97
Rot. Bonds7

About 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 19600585) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID19600585
Molecular FormulaC26H25N3O5
Molecular Weight459.50 g/mol
Exact Mass459.18
IUPAC Name2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILES[H]/N=C(\OCC)c1ccc(C2(C)C(=O)N(CC(=O)O)C(=O)N2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C26H25N3O5/c1-3-34-23(27)19-10-12-21(13-11-19)26(2)24(32)28(16-22(30)31)25(33)29(26)15-17-8-9-18-6-4-5-7-20(18)14-17/h4-14,27H,3,15-16H2,1-2H3,(H,30,31)/b27-23-
InChIKeyYDYMHPNAZPAVSN-VYIQYICTSA-N
XLogP3.97
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid 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

methyl 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 57004759
7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide
CID 22136703
7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 10322788
2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 23510007
7-[[4-methyl-3-[(2-nitrophenyl)methyl]-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136692
benzyl 2-[(4S)-3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 86588626
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218
(3S)-4-[[(S)-carboxy(phenyl)methyl]amino]-3-[[2-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-oxobutanoic acid
CID 59037914
ethyl 2-[3-(naphthalene-2-carbonyl)-2,4-dioxo-5,5-diphenylimidazolidin-1-yl]acetate
CID 22351184
(3S)-3-[[2-[3-benzyl-4-[4-[(benzylcarbamoylamino)methyl]phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-4-[[(S)-carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 59894436
5-methyl-3-(naphthalene-2-carbonyl)-1-phenacyl-5-phenylimidazolidine-2,4-dione
CID 22351192
3-[[2-(3-benzyl-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetyl]amino]-4-[[carboxy(phenyl)methyl]amino]-4-oxobutanoic acid
CID 22096523

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 19600585) is 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is [H]/N=C(\OCC)c1ccc(C2(C)C(=O)N(CC(=O)O)C(=O)N2Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is YDYMHPNAZPAVSN-VYIQYICTSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-3-34-23(27)19-10-12-21(13-11-19)26(2)24(32)28(16-22(30)31)25(33)29(26)15-17-8-9-18-6-4-5-7-20(18)14-17/h4-14,27H,3,15-16H2,1-2H3,(H,30,31)/b27-23-.
What are the key properties of 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 459.50 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 19600585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).