methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate

C59H71Br2N7O10Si2 — CID 159644863

IUPACmethyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate
SMILESCOC(=O)CC1=NC(Cc2nc3cc(OCC4CC4)c(Br)cc3n2COCC[Si](C)(C)C)c2ccccc2C1=O.COC(=O)Cc1nn(Cc2nc3cc(Br)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C30H36BrN3O5Si.C29H35BrN4O5Si/c1-37-29(35)16-25-30(36)21-8-6-5-7-20(21)23(32-25)15-28-33-24-14-27(39-17-19-9-10-19)22(31)13-26(24)34(28)18-38-11-12-40(2,3)4;1-37-28(35)14-23-29(36)20-7-5-6-8-24(20)34(32-23)16-27-31-22-13-21(30)26(39-17-19-9-10-19)15-25(22)33(27)18-38-11-12-40(2,3)4/h5-8,13-14,19,23H,9-12,15-18H2,1-4H3;5-8,13,15,19H,9-12,14,16-18H2,1-4H3
InChIKeyMQVCGXFVLDNYNB-UHFFFAOYSA-N
MW1254.24 g/mol
LogP11.76
Rot. Bonds24

About methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate

methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate (PubChem CID 159644863) has the molecular formula C59H71Br2N7O10Si2 and a molecular weight of 1254.24 g/mol. Its IUPAC name is methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate
PubChem CID159644863
Molecular FormulaC59H71Br2N7O10Si2
Molecular Weight1254.24 g/mol
Exact Mass1251.32
IUPAC Namemethyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate
SMILESCOC(=O)CC1=NC(Cc2nc3cc(OCC4CC4)c(Br)cc3n2COCC[Si](C)(C)C)c2ccccc2C1=O.COC(=O)Cc1nn(Cc2nc3cc(Br)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O
InChIInChI=1S/C30H36BrN3O5Si.C29H35BrN4O5Si/c1-37-29(35)16-25-30(36)21-8-6-5-7-20(21)23(32-25)15-28-33-24-14-27(39-17-19-9-10-19)22(31)13-26(24)34(28)18-38-11-12-40(2,3)4;1-37-28(35)14-23-29(36)20-7-5-6-8-24(20)34(32-23)16-27-31-22-13-21(30)26(39-17-19-9-10-19)15-25(22)33(27)18-38-11-12-40(2,3)4/h5-8,13-14,19,23H,9-12,15-18H2,1-4H3;5-8,13,15,19H,9-12,14,16-18H2,1-4H3
InChIKeyMQVCGXFVLDNYNB-UHFFFAOYSA-N
XLogP11.76
TPSA189.48 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds24
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001254.24
LogP ≤ 511.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate 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

methyl 2-[1-[[5-cyano-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]propanoate;methyl 2-[1-[[6-cyano-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]propanoate
CID 158786798
2-[[5-bromo-2-(chloromethyl)-6-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane;2-[[6-bromo-2-(chloromethyl)-5-(cyclopropylmethoxy)benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 157058148
2-[[6-bromo-5-methoxy-2-[4-(phenylmethoxymethyl)cyclohexyl]benzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155752260
methyl 2-[1-[[5-chloro-6-(cyclopropylmethoxy)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]-3a,7a-dihydroindol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate
CID 166786654
2-[1-[[5-chloro-6-(cyclopropylmethoxy)-1H-indol-2-yl]methyl]-4-oxocinnolin-3-yl]acetic acid
CID 152700857
3-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)indazole-5-carbaldehyde
CID 58407607
2-[(6-bromo-5-methoxybenzimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 172631194
3-[[5-[5-[5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methyl-2-pyridinyl]oxy]-2,2-dimethylpropanoic acid
CID 123345295
[2-[4-[[2-(cyclohexylmethyl)-5,6-dimethoxybenzimidazol-1-yl]methyl]phenyl]phenyl] hydrogen carbonate
CID 67756732
2-[[6-bromo-5-(4-methylsulfonylphenoxy)-2-pyridin-2-ylbenzimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 57433530
methyl 1-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]cyclopropane-1-carboxylate;methyl 2-[4-oxo-1-(2-trimethylsilylethoxymethyl)cinnolin-3-yl]prop-2-enoate
CID 159683340
methyl 2-(7-cyclobutyl-1-ethyl-4-oxocinnolin-3-yl)acetate
CID 163219074

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate (CID 159644863) is methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate is COC(=O)CC1=NC(Cc2nc3cc(OCC4CC4)c(Br)cc3n2COCC[Si](C)(C)C)c2ccccc2C1=O.COC(=O)Cc1nn(Cc2nc3cc(Br)c(OCC4CC4)cc3n2COCC[Si](C)(C)C)c2ccccc2c1=O.
What is the InChIKey of methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate?
The InChIKey is MQVCGXFVLDNYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36BrN3O5Si.C29H35BrN4O5Si/c1-37-29(35)16-25-30(36)21-8-6-5-7-20(21)23(32-25)15-28-33-24-14-27(39-17-19-9-10-19)22(31)13-26(24)34(28)18-38-11-12-40(2,3)4;1-37-28(35)14-23-29(36)20-7-5-6-8-24(20)34(32-23)16-27-31-22-13-21(30)26(39-17-19-9-10-19)15-25(22)33(27)18-38-11-12-40(2,3)4/h5-8,13-14,19,23H,9-12,15-18H2,1-4H3;5-8,13,15,19H,9-12,14,16-18H2,1-4H3.
What are the key properties of methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate?
methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate has a molecular weight of 1254.24 g/mol, XLogP of 11.76, 24 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[[5-bromo-6-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxocinnolin-3-yl]acetate;methyl 2-[1-[[6-bromo-5-(cyclopropylmethoxy)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]-4-oxo-1H-isoquinolin-3-yl]acetate is sourced from PubChem (CID 159644863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).