3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one

C26H29F3N4O3Si — CID 157467509

About 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one

3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one (PubChem CID 157467509) has the molecular formula C26H29F3N4O3Si and a molecular weight of 530.62 g/mol. Its IUPAC name is 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
• PubChem CID: 157467509
• Molecular Formula: C26H29F3N4O3Si
• Molecular Weight: 530.62 g/mol
• Exact Mass: 530.20
• IUPAC Name: 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one
• SMILES: C[Si](C)(C)CCOCn1c(Cn2cccc(N)c2=O)nc2c(OCc3ccc(F)cc3F)cc(F)cc21
• InChI: InChI=1S/C26H29F3N4O3Si/c1-37(2,3)10-9-35-16-33-22-12-19(28)13-23(36-15-17-6-7-18(27)11-20(17)29)25(22)31-24(33)14-32-8-4-5-21(30)26(32)34/h4-8,11-13H,9-10,14-16,30H2,1-3H3
• InChIKey: BUQOJXRDGINDNH-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.62
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?

The IUPAC name of 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one (CID 157467509) is 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one.

What is the SMILES notation for 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?

The canonical SMILES for 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one is C[Si](C)(C)CCOCn1c(Cn2cccc(N)c2=O)nc2c(OCc3ccc(F)cc3F)cc(F)cc21.

What is the InChIKey of 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?

The InChIKey is BUQOJXRDGINDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N4O3Si/c1-37(2,3)10-9-35-16-33-22-12-19(28)13-23(36-15-17-6-7-18(27)11-20(17)29)25(22)31-24(33)14-32-8-4-5-21(30)26(32)34/h4-8,11-13H,9-10,14-16,30H2,1-3H3.

What are the key properties of 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one?

3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one has a molecular weight of 530.62 g/mol, XLogP of 5.14, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[[4-[(2,4-difluorophenyl)methoxy]-6-fluoro-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]pyridin-2-one is sourced from PubChem (CID 157467509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).