methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate

C26H40N2O5Si — CID 58668472

IUPACmethyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(=O)C2(C)CCC(CO[Si](C)(C)C(C)(C)C)CC2)nc2ccc(OC)cc21
InChIInChI=1S/C26H40N2O5Si/c1-25(2,3)34(7,8)33-17-18-11-13-26(4,14-12-18)23(30)24-27-20-10-9-19(31-5)15-21(20)28(24)16-22(29)32-6/h9-10,15,18H,11-14,16-17H2,1-8H3
InChIKeyAQXDNVFUHAMGFX-UHFFFAOYSA-N
MW488.70 g/mol
LogP5.62
Rot. Bonds8

About methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate

methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate (PubChem CID 58668472) has the molecular formula C26H40N2O5Si and a molecular weight of 488.70 g/mol. Its IUPAC name is methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate
PubChem CID58668472
Molecular FormulaC26H40N2O5Si
Molecular Weight488.70 g/mol
Exact Mass488.27
IUPAC Namemethyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate
SMILESCOC(=O)Cn1c(C(=O)C2(C)CCC(CO[Si](C)(C)C(C)(C)C)CC2)nc2ccc(OC)cc21
InChIInChI=1S/C26H40N2O5Si/c1-25(2,3)34(7,8)33-17-18-11-13-26(4,14-12-18)23(30)24-27-20-10-9-19(31-5)15-21(20)28(24)16-22(29)32-6/h9-10,15,18H,11-14,16-17H2,1-8H3
InChIKeyAQXDNVFUHAMGFX-UHFFFAOYSA-N
XLogP5.62
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-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

2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetic acid
CID 58668512
2-[2-[4-(hydroxymethyl)-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]-N-(3-methylbutyl)butanamide
CID 91343256
3-(2-amino-6-methoxybenzimidazol-1-yl)-2,2-dimethylpropanamide
CID 106278480
2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]-N-[3-[[2-[2-(2,2-dimethylpropanoyl)-6-methoxybenzimidazol-1-yl]acetyl]-ethylamino]propyl]-N-ethylacetamide
CID 24963331
tert-butyl 2-(7-methoxy-2-oxo-3-propan-2-ylquinoxalin-1-yl)acetate
CID 86628420
methyl 2-[(2S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopyrrolidin-1-yl]acetate
CID 174030231
2-[6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
CID 84810462
methyl 2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-1-yl]-2-(3,5-dichlorophenyl)propanoate
CID 123534109
1-(2-benzoyl-6-methoxybenzimidazol-1-yl)hexan-2-one
CID 142985780
1-[3-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)propyl]-7-methoxyquinoxalin-2-one
CID 86724931
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013
2-(2-chloro-6-methoxybenzimidazol-1-yl)-N,N-dimethylacetamide
CID 155143022

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate (CID 58668472) is methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate is COC(=O)Cn1c(C(=O)C2(C)CCC(CO[Si](C)(C)C(C)(C)C)CC2)nc2ccc(OC)cc21.
What is the InChIKey of methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate?
The InChIKey is AQXDNVFUHAMGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O5Si/c1-25(2,3)34(7,8)33-17-18-11-13-26(4,14-12-18)23(30)24-27-20-10-9-19(31-5)15-21(20)28(24)16-22(29)32-6/h9-10,15,18H,11-14,16-17H2,1-8H3.
What are the key properties of methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate?
methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate has a molecular weight of 488.70 g/mol, XLogP of 5.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclohexanecarbonyl]-6-methoxybenzimidazol-1-yl]acetate is sourced from PubChem (CID 58668472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).