7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide

C29H27N5O2 — CID 10322788

IUPAC7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CN3C(=O)N(Cc4cccc(N)c4)C(C)(c4ccccc4)C3=O)cc2c1
InChIInChI=1S/C29H27N5O2/c1-29(24-7-3-2-4-8-24)27(35)33(28(36)34(29)18-19-6-5-9-25(30)15-19)17-20-10-11-21-12-13-22(26(31)32)16-23(21)14-20/h2-16H,17-18,30H2,1H3,(H3,31,32)
InChIKeyLYMVERONZPNFJA-UHFFFAOYSA-N
MW477.57 g/mol
LogP4.59
Rot. Bonds6

About 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide

7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide (PubChem CID 10322788) has the molecular formula C29H27N5O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide.

Molecular Properties

Compound Name7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
PubChem CID10322788
Molecular FormulaC29H27N5O2
Molecular Weight477.57 g/mol
Exact Mass477.22
IUPAC Name7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc2ccc(CN3C(=O)N(Cc4cccc(N)c4)C(C)(c4ccccc4)C3=O)cc2c1
InChIInChI=1S/C29H27N5O2/c1-29(24-7-3-2-4-8-24)27(35)33(28(36)34(29)18-19-6-5-9-25(30)15-19)17-20-10-11-21-12-13-22(26(31)32)16-23(21)14-20/h2-16H,17-18,30H2,1H3,(H3,31,32)
InChIKeyLYMVERONZPNFJA-UHFFFAOYSA-N
XLogP4.59
TPSA116.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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-benzyl-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl)methyl]naphthalene-2-carboximidamide
CID 22136703
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
5-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]pentanoic acid
CID 22136742
methyl 2-[4-[4-(C-ethoxycarbonimidoyl)phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 57004759
8-[1-[(7-carbamimidoylnaphthalen-2-yl)methyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]octanoic acid
CID 22136757
7-[[3-[(4-carbamimidoylphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide
CID 22136751
7-[(2-hydroxyethylsulfonylamino)methyl]naphthalene-2-carboximidamide
CID 140980494
7-[[2-(dimethylamino)ethylsulfonylamino]methyl]naphthalene-2-carboximidamide
CID 140980484
3-[4-[3-benzyl-1-(4-carbamimidoylphenyl)-2,4-dioxopyrrolidin-3-yl]phenyl]propanoic acid;hydrochloride
CID 18991025
4-[(3-aminophenyl)methyl]-3-(3-methoxypropyl)benzenecarboximidamide
CID 173187415
2-[3-benzyl-4-(4-formylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 23510007

Frequently Asked Questions

What is the IUPAC name of 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
The IUPAC name of 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide (CID 10322788) is 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide.
What is the SMILES notation for 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
The canonical SMILES for 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide is [H]/N=C(\N)c1ccc2ccc(CN3C(=O)N(Cc4cccc(N)c4)C(C)(c4ccccc4)C3=O)cc2c1.
What is the InChIKey of 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
The InChIKey is LYMVERONZPNFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O2/c1-29(24-7-3-2-4-8-24)27(35)33(28(36)34(29)18-19-6-5-9-25(30)15-19)17-20-10-11-21-12-13-22(26(31)32)16-23(21)14-20/h2-16H,17-18,30H2,1H3,(H3,31,32).
What are the key properties of 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide?
7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide has a molecular weight of 477.57 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-[(3-aminophenyl)methyl]-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]naphthalene-2-carboximidamide is sourced from PubChem (CID 10322788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).