N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide

C31H24N6O3 — CID 45254663

IUPACN-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C31H24N6O3/c38-27(19-36-24-10-4-5-11-25(24)37(30(36)40)26-12-6-7-15-32-26)33-23-14-13-21-17-31(18-22(21)16-23)29(39)34-28(35-31)20-8-2-1-3-9-20/h1-16H,17-19H2,(H,33,38)(H,34,35,39)
InChIKeyQMSWPVCQRDSDCZ-UHFFFAOYSA-N
MW528.57 g/mol
LogP3.24
Rot. Bonds5

About N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide

N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 45254663) has the molecular formula C31H24N6O3 and a molecular weight of 528.57 g/mol. Its IUPAC name is N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID45254663
Molecular FormulaC31H24N6O3
Molecular Weight528.57 g/mol
Exact Mass528.19
IUPAC NameN-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=O
InChIInChI=1S/C31H24N6O3/c38-27(19-36-24-10-4-5-11-25(24)37(30(36)40)26-12-6-7-15-32-26)33-23-14-13-21-17-31(18-22(21)16-23)29(39)34-28(35-31)20-8-2-1-3-9-20/h1-16H,17-19H2,(H,33,38)(H,34,35,39)
InChIKeyQMSWPVCQRDSDCZ-UHFFFAOYSA-N
XLogP3.24
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-piperidine]-5-yl)acetamide
CID 44570421
N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide
CID 10413017
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
4-[3-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]butanamide
CID 44563126
2-(3-oxo-2-phenyl-1,4-diazaspiro[4.6]undec-1-en-4-yl)-N-(2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl)acetamide
CID 58553946
2-[3-(1,1-dioxothiolan-3-yl)-2-oxobenzimidazol-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 10006995
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 55951935
5'-methylidene-2'-phenyl-N-prop-1-en-2-ylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-amine
CID 143960378
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 10430413
N-(2',5'-dioxospiro[1,3-dihydroindene-2,4'-imidazolidine]-5-yl)-2-indol-1-ylacetamide
CID 10429483
2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 11633991

Frequently Asked Questions

What is the IUPAC name of N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 45254663) is N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(=O)n(-c2ccccn2)c2ccccc21)Nc1ccc2c(c1)CC1(C2)N=C(c2ccccc2)NC1=O.
What is the InChIKey of N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is QMSWPVCQRDSDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N6O3/c38-27(19-36-24-10-4-5-11-25(24)37(30(36)40)26-12-6-7-15-32-26)33-23-14-13-21-17-31(18-22(21)16-23)29(39)34-28(35-31)20-8-2-1-3-9-20/h1-16H,17-19H2,(H,33,38)(H,34,35,39).
What are the key properties of N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide?
N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 528.57 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5'-oxo-2'-phenylspiro[1,3-dihydroindene-2,4'-1H-imidazole]-5-yl)-2-(2-oxo-3-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 45254663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).