4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

C26H30IN5O2Si — CID 167407704

IUPAC4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C)c2c1C(c1ccc(I)cc1)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O
InChIInChI=1S/C26H30IN5O2Si/c1-17-23-24(18-6-8-19(27)9-7-18)32(26(33)25(23)30(2)29-17)20-10-11-22-21(14-20)28-15-31(22)16-34-12-13-35(3,4)5/h6-11,14-15,24H,12-13,16H2,1-5H3
InChIKeyRGJLGFUYZFRGSP-UHFFFAOYSA-N
MW599.55 g/mol
LogP5.74
Rot. Bonds7

About 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one

4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (PubChem CID 167407704) has the molecular formula C26H30IN5O2Si and a molecular weight of 599.55 g/mol. Its IUPAC name is 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.

Molecular Properties

Compound Name4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
PubChem CID167407704
Molecular FormulaC26H30IN5O2Si
Molecular Weight599.55 g/mol
Exact Mass599.12
IUPAC Name4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
SMILESCc1nn(C)c2c1C(c1ccc(I)cc1)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O
InChIInChI=1S/C26H30IN5O2Si/c1-17-23-24(18-6-8-19(27)9-7-18)32(26(33)25(23)30(2)29-17)20-10-11-22-21(14-20)28-15-31(22)16-34-12-13-35(3,4)5/h6-11,14-15,24H,12-13,16H2,1-5H3
InChIKeyRGJLGFUYZFRGSP-UHFFFAOYSA-N
XLogP5.74
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500599.55
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one 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

4-(4-bromo-2-fluorophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 167407685
4-(4-bromo-2,6-difluorophenyl)-3-cyclopropyl-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]azetidin-2-one
CID 168817649
4-[2-fluoro-4-[1-(trifluoromethyl)pyrazol-4-yl]phenyl]-3-methyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d][1,2]oxazol-6-one
CID 167407739
2-cyclopropyl-4-[4-(4,4-difluoropiperidin-1-yl)-2-fluorophenyl]-3-methyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 167407655
4-[4-(3,3-difluoropyrrolidin-1-yl)-2,6-difluorophenyl]-3-methyl-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]azetidin-2-one
CID 170983597
methyl 1-(2-trimethylsilylethoxymethyl)benzimidazole-5-carboxylate
CID 140802943
(3R,4R)-4-[4-[1-(difluoromethyl)pyrazol-4-yl]-2,6-difluorophenyl]-3-methyl-1-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]azetidin-2-one
CID 168817639
trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-1-yl]methoxy]ethyl]silane
CID 58137222
2-[(6-fluorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 141393470
2-[(5,6-dichlorobenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 58860919
2-[(5,6-dimethoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 67292375
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The IUPAC name of 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one (CID 167407704) is 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one.
What is the SMILES notation for 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The canonical SMILES for 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is Cc1nn(C)c2c1C(c1ccc(I)cc1)N(c1ccc3c(c1)ncn3COCC[Si](C)(C)C)C2=O.
What is the InChIKey of 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
The InChIKey is RGJLGFUYZFRGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30IN5O2Si/c1-17-23-24(18-6-8-19(27)9-7-18)32(26(33)25(23)30(2)29-17)20-10-11-22-21(14-20)28-15-31(22)16-34-12-13-35(3,4)5/h6-11,14-15,24H,12-13,16H2,1-5H3.
What are the key properties of 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one?
4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one has a molecular weight of 599.55 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-1,3-dimethyl-5-[1-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]-4H-pyrrolo[3,4-d]pyrazol-6-one is sourced from PubChem (CID 167407704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).