N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide

C30H34Cl2F3N5O3Si — CID 123997716

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide (PubChem CID 123997716) has the molecular formula C30H34Cl2F3N5O3Si and a molecular weight of 668.62 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide
• PubChem CID: 123997716
• Molecular Formula: C30H34Cl2F3N5O3Si
• Molecular Weight: 668.62 g/mol
• Exact Mass: 667.18
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide
• SMILES: Cc1cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c2c(Cl)ncnc2Cl)cc(C)c1-n1c(=O)n(CC(F)(F)F)c2ccccc21
• InChI: InChI=1S/C30H34Cl2F3N5O3Si/c1-18-14-20(15-19(2)24(18)40-22-11-9-8-10-21(22)39(28(40)42)16-30(33,34)35)38(12-13-43-44(6,7)29(3,4)5)27(41)23-25(31)36-17-37-26(23)32/h8-11,14-15,17H,12-13,16H2,1-7H3
• InChIKey: TVRLBNFEFVLMED-UHFFFAOYSA-N
• XLogP: 7.74
• TPSA: 82.25 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.62
LogP ≤ 5	7.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide (CID 123997716) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide is Cc1cc(N(CCO[Si](C)(C)C(C)(C)C)C(=O)c2c(Cl)ncnc2Cl)cc(C)c1-n1c(=O)n(CC(F)(F)F)c2ccccc21.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide?

The InChIKey is TVRLBNFEFVLMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34Cl2F3N5O3Si/c1-18-14-20(15-19(2)24(18)40-22-11-9-8-10-21(22)39(28(40)42)16-30(33,34)35)38(12-13-43-44(6,7)29(3,4)5)27(41)23-25(31)36-17-37-26(23)32/h8-11,14-15,17H,12-13,16H2,1-7H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide has a molecular weight of 668.62 g/mol, XLogP of 7.74, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4,6-dichloro-N-[3,5-dimethyl-4-[2-oxo-3-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 123997716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).