7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide

C33H28N4O2 — CID 22136703

IUPAC7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CN3C(=O)N(Cc4ccccc4)C(C)(c4ccc5ccccc5c4)C3=O)cc2c1
InChIInChI=1S/C33H28N4O2/c1-33(29-16-15-24-9-5-6-10-26(24)19-29)31(38)36(32(39)37(33)21-22-7-3-2-4-8-22)20-23-11-12-25-13-14-27(30(34)35)18-28(25)17-23/h2-19H,20-21H2,1H3,(H3,34,35)
InChIKeyOFUVEXBRYFTMHF-UHFFFAOYSA-N
MW512.61 g/mol
LogP6.16
Rot. Bonds6

About 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide

7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide (PubChem CID 22136703) has the molecular formula C33H28N4O2 and a molecular weight of 512.61 g/mol. Its IUPAC name is 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide
PubChem CID22136703
Molecular FormulaC33H28N4O2
Molecular Weight512.61 g/mol
Exact Mass512.22
IUPAC Name7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CN3C(=O)N(Cc4ccccc4)C(C)(c4ccc5ccccc5c4)C3=O)cc2c1
InChIInChI=1S/C33H28N4O2/c1-33(29-16-15-24-9-5-6-10-26(24)19-29)31(38)36(32(39)37(33)21-22-7-3-2-4-8-22)20-23-11-12-25-13-14-27(30(34)35)18-28(25)17-23/h2-19H,20-21H2,1H3,(H3,34,35)
InChIKeyOFUVEXBRYFTMHF-UHFFFAOYSA-N
XLogP6.16
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.61
LogP ≤ 56.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 10322788
7-[[4-methyl-3-[(2-nitrophenyl)methyl]-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136692
2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 19600585
methyl 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 57004759
7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136751
5-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]pentanoic acid
CID 22136742
8-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]octanoic acid
CID 22136757
2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 23510007
7-[(2-hydroxyethylsulfonylamino)methyl]naphthalene-2-carboximidamide
CID 140980494
7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide
CID 140980484
(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
methyl (3S,5S)-4-(aminomethyl)-5-(6-carbamimidoylnaphthalene-2-carbonyl)-3-methyl-2-oxo-1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139800660

Frequently Asked Questions

What is the IUPAC name of 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide (CID 22136703) is 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(CN3C(=O)N(Cc4ccccc4)C(C)(c4ccc5ccccc5c4)C3=O)cc2c1.
What is the InChIKey of 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide?
The InChIKey is OFUVEXBRYFTMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O2/c1-33(29-16-15-24-9-5-6-10-26(24)19-29)31(38)36(32(39)37(33)21-22-7-3-2-4-8-22)20-23-11-12-25-13-14-27(30(34)35)18-28(25)17-23/h2-19H,20-21H2,1H3,(H3,34,35).
What are the key properties of 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide?
7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide has a molecular weight of 512.61 g/mol, XLogP of 6.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 22136703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).