Skip to content

Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

C32H28FN3O5 — CID 159733278

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACmethyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2ccc(-c3cccc(OCC(=O)c4ccccc4)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C32H28FN3O5/c1-39-16-15-36-28-18-24(32(38)40-2)13-14-27(28)34-30(36)19-22-11-12-23(17-25(22)33)26-9-6-10-31(35-26)41-20-29(37)21-7-4-3-5-8-21/h3-14,17-18H,15-16,19-20H2,1-2H3
InChIKeyGWSHHGBBVZDVEP-UHFFFAOYSA-N
MW553.59 g/mol
LogP5.52
Rot. Bonds11

About Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate

Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (PubChem CID 159733278) has the molecular formula C32H28FN3O5 and a molecular weight of 553.59 g/mol. Its IUPAC name is methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound NameMethyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
PubChem CID159733278
Molecular FormulaC32H28FN3O5
Molecular Weight553.59 g/mol
Exact Mass553.20
IUPAC Namemethyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate
SMILESCOCCn1c(Cc2ccc(-c3cccc(OCC(=O)c4ccccc4)n3)cc2F)nc2ccc(C(=O)OC)cc21
InChIInChI=1S/C32H28FN3O5/c1-39-16-15-36-28-18-24(32(38)40-2)13-14-27(28)34-30(36)19-22-11-12-23(17-25(22)33)26-9-6-10-31(35-26)41-20-29(37)21-7-4-3-5-8-21/h3-14,17-18H,15-16,19-20H2,1-2H3
InChIKeyGWSHHGBBVZDVEP-UHFFFAOYSA-N
XLogP5.52
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.59
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The IUPAC name of Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate (CID 159733278) is methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate.
What is the SMILES notation for Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The canonical SMILES for Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is COCCn1c(Cc2ccc(-c3cccc(OCC(=O)c4ccccc4)n3)cc2F)nc2ccc(C(=O)OC)cc21.
What is the InChIKey of Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
The InChIKey is GWSHHGBBVZDVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O5/c1-39-16-15-36-28-18-24(32(38)40-2)13-14-27(28)34-30(36)19-22-11-12-23(17-25(22)33)26-9-6-10-31(35-26)41-20-29(37)21-7-4-3-5-8-21/h3-14,17-18H,15-16,19-20H2,1-2H3.
What are the key properties of Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate?
Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate has a molecular weight of 553.59 g/mol, XLogP of 5.52, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for Methyl 2-[[2-fluoro-4-(6-phenacyloxy-2-pyridinyl)phenyl]methyl]-3-(2-methoxyethyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 159733278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.