3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol

C26H40N4O2Si — CID 175757331

IUPAC3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol
SMILESCc1cccc2nc(-c3cc(C4CCC(O)C4)nn3C(C)(C)C)n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C26H40N4O2Si/c1-18-9-8-10-21-24(18)29(17-32-13-14-33(5,6)7)25(27-21)23-16-22(19-11-12-20(31)15-19)28-30(23)26(2,3)4/h8-10,16,19-20,31H,11-15,17H2,1-7H3
InChIKeyNEJYHEDHYNMAPZ-UHFFFAOYSA-N
MW468.72 g/mol
LogP5.90
Rot. Bonds7

About 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol

3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol (PubChem CID 175757331) has the molecular formula C26H40N4O2Si and a molecular weight of 468.72 g/mol. Its IUPAC name is 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol
PubChem CID175757331
Molecular FormulaC26H40N4O2Si
Molecular Weight468.72 g/mol
Exact Mass468.29
IUPAC Name3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol
SMILESCc1cccc2nc(-c3cc(C4CCC(O)C4)nn3C(C)(C)C)n(COCC[Si](C)(C)C)c12
InChIInChI=1S/C26H40N4O2Si/c1-18-9-8-10-21-24(18)29(17-32-13-14-33(5,6)7)25(27-21)23-16-22(19-11-12-20(31)15-19)28-30(23)26(2,3)4/h8-10,16,19-20,31H,11-15,17H2,1-7H3
InChIKeyNEJYHEDHYNMAPZ-UHFFFAOYSA-N
XLogP5.90
TPSA65.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.72
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 145951058
CID 145951058
CID 145950588
CID 145950588
CID 145955198
CID 145955198
CID 20814061
CID 20814061
CID 20814062
CID 20814062
CID 21877446
CID 21877446
CID 58645429
CID 58645429
CID 86688971
CID 86688971
CID 91542995
CID 91542995
CID 152504573
CID 152504573
CID 172777728
CID 172777728
CID 172777963
CID 172777963

Frequently Asked Questions

What is the IUPAC name of 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol?
The IUPAC name of 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol (CID 175757331) is 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol.
What is the SMILES notation for 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol?
The canonical SMILES for 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol is Cc1cccc2nc(-c3cc(C4CCC(O)C4)nn3C(C)(C)C)n(COCC[Si](C)(C)C)c12.
What is the InChIKey of 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol?
The InChIKey is NEJYHEDHYNMAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O2Si/c1-18-9-8-10-21-24(18)29(17-32-13-14-33(5,6)7)25(27-21)23-16-22(19-11-12-20(31)15-19)28-30(23)26(2,3)4/h8-10,16,19-20,31H,11-15,17H2,1-7H3.
What are the key properties of 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol?
3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol has a molecular weight of 468.72 g/mol, XLogP of 5.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-tert-butyl-5-[7-methyl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazol-3-yl]cyclopentan-1-ol is sourced from PubChem (CID 175757331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).