N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide

C27H23N5O3 — CID 10322249

IUPACN-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC1(C2)NC(=O)NC1=O
InChIInChI=1S/C27H23N5O3/c33-23(16-32-22-9-5-4-8-21(22)29-24(32)17-6-2-1-3-7-17)28-20-11-10-19-15-27(13-12-18(19)14-20)25(34)30-26(35)31-27/h1-11,14H,12-13,15-16H2,(H,28,33)(H2,30,31,34,35)
InChIKeyVGAANUAIHJDQCO-UHFFFAOYSA-N
MW465.51 g/mol
LogP3.41
Rot. Bonds4

About N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide

N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 10322249) has the molecular formula C27H23N5O3 and a molecular weight of 465.51 g/mol. Its IUPAC name is N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID10322249
Molecular FormulaC27H23N5O3
Molecular Weight465.51 g/mol
Exact Mass465.18
IUPAC NameN-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC1(C2)NC(=O)NC1=O
InChIInChI=1S/C27H23N5O3/c33-23(16-32-22-9-5-4-8-21(22)29-24(32)17-6-2-1-3-7-17)28-20-11-10-19-15-27(13-12-18(19)14-20)25(34)30-26(35)31-27/h1-11,14H,12-13,15-16H2,(H,28,33)(H2,30,31,34,35)
InChIKeyVGAANUAIHJDQCO-UHFFFAOYSA-N
XLogP3.41
TPSA105.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 10322249) is N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccc2)nc2ccccc21)Nc1ccc2c(c1)CCC1(C2)NC(=O)NC1=O.
What is the InChIKey of N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is VGAANUAIHJDQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O3/c33-23(16-32-22-9-5-4-8-21(22)29-24(32)17-6-2-1-3-7-17)28-20-11-10-19-15-27(13-12-18(19)14-20)25(34)30-26(35)31-27/h1-11,14H,12-13,15-16H2,(H,28,33)(H2,30,31,34,35).
What are the key properties of N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide?
N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 465.51 g/mol, XLogP of 3.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2',5'-dioxospiro[7,8-dihydro-5H-naphthalene-6,4'-imidazolidine]-2-yl)-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 10322249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).