N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide

C19H16N4O4 — CID 135655438

IUPACN-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide
SMILESCOCCn1c(O)c2ccc(C(=O)N=C3N=c4ccccc4=N3)cc2c1O
InChIInChI=1S/C19H16N4O4/c1-27-9-8-23-17(25)12-7-6-11(10-13(12)18(23)26)16(24)22-19-20-14-4-2-3-5-15(14)21-19/h2-7,10,25-26H,8-9H2,1H3
InChIKeySHEOOTOXDFDFNZ-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.15
Rot. Bonds4

About N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide

N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide (PubChem CID 135655438) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide
PubChem CID135655438
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC NameN-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide
SMILESCOCCn1c(O)c2ccc(C(=O)N=C3N=c4ccccc4=N3)cc2c1O
InChIInChI=1S/C19H16N4O4/c1-27-9-8-23-17(25)12-7-6-11(10-13(12)18(23)26)16(24)22-19-20-14-4-2-3-5-15(14)21-19/h2-7,10,25-26H,8-9H2,1H3
InChIKeySHEOOTOXDFDFNZ-UHFFFAOYSA-N
XLogP1.15
TPSA108.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide?
The IUPAC name of N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide (CID 135655438) is N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide.
What is the SMILES notation for N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide?
The canonical SMILES for N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide is COCCn1c(O)c2ccc(C(=O)N=C3N=c4ccccc4=N3)cc2c1O.
What is the InChIKey of N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide?
The InChIKey is SHEOOTOXDFDFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-27-9-8-23-17(25)12-7-6-11(10-13(12)18(23)26)16(24)22-19-20-14-4-2-3-5-15(14)21-19/h2-7,10,25-26H,8-9H2,1H3.
What are the key properties of N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide?
N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide has a molecular weight of 364.36 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-2-ylidene)-1,3-dihydroxy-2-(2-methoxyethyl)isoindole-5-carboxamide is sourced from PubChem (CID 135655438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).