[1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol

C32H34N2O3Si — CID 175940818

IUPAC[1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol
SMILESCOc1cc(CO)cc2ncn(Cc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)c12
InChIInChI=1S/C32H34N2O3Si/c1-32(2,3)38(27-11-7-5-8-12-27,28-13-9-6-10-14-28)37-26-17-15-24(16-18-26)21-34-23-33-29-19-25(22-35)20-30(36-4)31(29)34/h5-20,23,35H,21-22H2,1-4H3
InChIKeyLRZXVZZMNDTPHN-UHFFFAOYSA-N
MW522.72 g/mol
LogP5.52
Rot. Bonds8

About [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol

[1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol (PubChem CID 175940818) has the molecular formula C32H34N2O3Si and a molecular weight of 522.72 g/mol. Its IUPAC name is [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol
PubChem CID175940818
Molecular FormulaC32H34N2O3Si
Molecular Weight522.72 g/mol
Exact Mass522.23
IUPAC Name[1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol
SMILESCOc1cc(CO)cc2ncn(Cc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)c12
InChIInChI=1S/C32H34N2O3Si/c1-32(2,3)38(27-11-7-5-8-12-27,28-13-9-6-10-14-28)37-26-17-15-24(16-18-26)21-34-23-33-29-19-25(22-35)20-30(36-4)31(29)34/h5-20,23,35H,21-22H2,1-4H3
InChIKeyLRZXVZZMNDTPHN-UHFFFAOYSA-N
XLogP5.52
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.72
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
1-benzyl-5-methoxybenzimidazole
CID 10900689
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11486184
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
CID 100986935
bromo-[[3-[tert-butyl(diphenyl)silyl]oxy-4-methoxyphenyl]methyl]-phosphanylphosphane;ethane
CID 91177193
[3-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxyphenyl]methanol
CID 69313641
tert-butyl-[(6-methoxy-3H-benzimidazol-5-yl)oxy]-diphenylsilane
CID 57431359
5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methoxyphenol
CID 11269381
7-methoxy-1-(2-methoxyethyl)-5-phenylsulfanylbenzimidazole
CID 91534623
methyl 6-[tert-butyl(diphenyl)silyl]oxynaphthalene-2-carboxylate
CID 14645565
1-[(4-methoxyphenyl)methyl]-6H-imidazo[4,5-d]pyridazin-7-one
CID 134540798
[4-(bromomethyl)-2-methoxyphenyl]methoxy-tert-butyl-diphenylsilane
CID 171654224

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol?
The IUPAC name of [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol (CID 175940818) is [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol.
What is the SMILES notation for [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol?
The canonical SMILES for [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol is COc1cc(CO)cc2ncn(Cc3ccc(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3)c12.
What is the InChIKey of [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol?
The InChIKey is LRZXVZZMNDTPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3Si/c1-32(2,3)38(27-11-7-5-8-12-27,28-13-9-6-10-14-28)37-26-17-15-24(16-18-26)21-34-23-33-29-19-25(22-35)20-30(36-4)31(29)34/h5-20,23,35H,21-22H2,1-4H3.
What are the key properties of [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol?
[1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol has a molecular weight of 522.72 g/mol, XLogP of 5.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[tert-butyl(diphenyl)silyl]oxyphenyl]methyl]-7-methoxybenzimidazol-5-yl]methanol is sourced from PubChem (CID 175940818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).