tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane

C28H37Cl2N3O2Si — CID 140784171

IUPACtert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane
SMILESCOc1ccc(CN2CCc3c(nc(CO[Si](C)(C)C(C)(C)C)n3Cc3cc(Cl)ccc3Cl)C2)cc1
InChIInChI=1S/C28H37Cl2N3O2Si/c1-28(2,3)36(5,6)35-19-27-31-25-18-32(16-20-7-10-23(34-4)11-8-20)14-13-26(25)33(27)17-21-15-22(29)9-12-24(21)30/h7-12,15H,13-14,16-19H2,1-6H3
InChIKeyMNCOCLSPCOUJTM-UHFFFAOYSA-N
MW546.62 g/mol
LogP7.33
Rot. Bonds8

About tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane

tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane (PubChem CID 140784171) has the molecular formula C28H37Cl2N3O2Si and a molecular weight of 546.62 g/mol. Its IUPAC name is tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane
PubChem CID140784171
Molecular FormulaC28H37Cl2N3O2Si
Molecular Weight546.62 g/mol
Exact Mass545.20
IUPAC Nametert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane
SMILESCOc1ccc(CN2CCc3c(nc(CO[Si](C)(C)C(C)(C)C)n3Cc3cc(Cl)ccc3Cl)C2)cc1
InChIInChI=1S/C28H37Cl2N3O2Si/c1-28(2,3)36(5,6)35-19-27-31-25-18-32(16-20-7-10-23(34-4)11-8-20)14-13-26(25)33(27)17-21-15-22(29)9-12-24(21)30/h7-12,15H,13-14,16-19H2,1-6H3
InChIKeyMNCOCLSPCOUJTM-UHFFFAOYSA-N
XLogP7.33
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.62
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane (CID 140784171) is tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane is COc1ccc(CN2CCc3c(nc(CO[Si](C)(C)C(C)(C)C)n3Cc3cc(Cl)ccc3Cl)C2)cc1.
What is the InChIKey of tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane?
The InChIKey is MNCOCLSPCOUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37Cl2N3O2Si/c1-28(2,3)36(5,6)35-19-27-31-25-18-32(16-20-7-10-23(34-4)11-8-20)14-13-26(25)33(27)17-21-15-22(29)9-12-24(21)30/h7-12,15H,13-14,16-19H2,1-6H3.
What are the key properties of tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane?
tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane has a molecular weight of 546.62 g/mol, XLogP of 7.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[1-[(2,5-dichlorophenyl)methyl]-5-[(4-methoxyphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 140784171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).