[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid

C24H25N4O7P — CID 11145668

IUPAC[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid
SMILESCCn1c(P(=O)(O)c2ccccc2)nc2cc(NC(=O)CCCC(=O)ON3C(=O)CCC3=O)ccc21
InChIInChI=1S/C24H25N4O7P/c1-2-27-19-12-11-16(15-18(19)26-24(27)36(33,34)17-7-4-3-5-8-17)25-20(29)9-6-10-23(32)35-28-21(30)13-14-22(28)31/h3-5,7-8,11-12,15H,2,6,9-10,13-14H2,1H3,(H,25,29)(H,33,34)
InChIKeyUTJSYVCLRCZPPU-UHFFFAOYSA-N
MW512.46 g/mol
LogP1.99
Rot. Bonds9

About [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid

[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid (PubChem CID 11145668) has the molecular formula C24H25N4O7P and a molecular weight of 512.46 g/mol. Its IUPAC name is [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid.

Molecular Properties

Compound Name[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid
PubChem CID11145668
Molecular FormulaC24H25N4O7P
Molecular Weight512.46 g/mol
Exact Mass512.15
IUPAC Name[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid
SMILESCCn1c(P(=O)(O)c2ccccc2)nc2cc(NC(=O)CCCC(=O)ON3C(=O)CCC3=O)ccc21
InChIInChI=1S/C24H25N4O7P/c1-2-27-19-12-11-16(15-18(19)26-24(27)36(33,34)17-7-4-3-5-8-17)25-20(29)9-6-10-23(32)35-28-21(30)13-14-22(28)31/h3-5,7-8,11-12,15H,2,6,9-10,13-14H2,1H3,(H,25,29)(H,33,34)
InChIKeyUTJSYVCLRCZPPU-UHFFFAOYSA-N
XLogP1.99
TPSA147.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic 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

(2,5-dioxopyrrolidin-1-yl) 5-anilino-5-oxopentanoate
CID 129168004
2-[2-[4-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]phenyl]-1-hydroxyethyl]benzoic acid
CID 14858795
N-[1-ethyl-2-[(4-ethylpiperazin-1-yl)methyl]benzimidazol-5-yl]pentanamide
CID 17236147
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
5-[(9-ethylcarbazol-3-yl)amino]-5-oxopentanoic acid
CID 3498432
N-[2-(azepan-1-ylmethyl)-1-ethylbenzimidazol-5-yl]pentanamide
CID 23612860
N-[1-ethyl-2-(pyrazol-1-ylmethyl)benzimidazol-5-yl]butanamide
CID 46263440
N-(9-ethylcarbazol-3-yl)-4-(methylamino)butanamide
CID 119672985
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]pentanamide
CID 17218670
N-[2-amino-1-(3-phenylpropyl)benzimidazol-5-yl]octanamide;hydrochloride
CID 139561212
(2,5-dioxopyrrolidin-1-yl) 5-[[(2R)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoate
CID 170024756
[2-(naphthalen-2-ylamino)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate
CID 7518959

Frequently Asked Questions

What is the IUPAC name of [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid?
The IUPAC name of [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid (CID 11145668) is [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid.
What is the SMILES notation for [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid?
The canonical SMILES for [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid is CCn1c(P(=O)(O)c2ccccc2)nc2cc(NC(=O)CCCC(=O)ON3C(=O)CCC3=O)ccc21.
What is the InChIKey of [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid?
The InChIKey is UTJSYVCLRCZPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N4O7P/c1-2-27-19-12-11-16(15-18(19)26-24(27)36(33,34)17-7-4-3-5-8-17)25-20(29)9-6-10-23(32)35-28-21(30)13-14-22(28)31/h3-5,7-8,11-12,15H,2,6,9-10,13-14H2,1H3,(H,25,29)(H,33,34).
What are the key properties of [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid?
[5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid has a molecular weight of 512.46 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[5-(2,5-dioxopyrrolidin-1-yl)oxy-5-oxopentanoyl]amino]-1-ethylbenzimidazol-2-yl]-phenylphosphinic acid is sourced from PubChem (CID 11145668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).