methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate

C16H11F3N2O4 — CID 164735061

IUPACmethyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(F)c2c(c1)[nH]c(=O)n2-c1cccc(OC(F)F)c1
InChIInChI=1S/C16H11F3N2O4/c1-24-14(22)8-5-11(17)13-12(6-8)20-16(23)21(13)9-3-2-4-10(7-9)25-15(18)19/h2-7,15H,1H3,(H,20,23)
InChIKeyNTOUANOMVMQBOP-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.85
Rot. Bonds4

About methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate

methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate (PubChem CID 164735061) has the molecular formula C16H11F3N2O4 and a molecular weight of 352.27 g/mol. Its IUPAC name is methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate
PubChem CID164735061
Molecular FormulaC16H11F3N2O4
Molecular Weight352.27 g/mol
Exact Mass352.07
IUPAC Namemethyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCOC(=O)c1cc(F)c2c(c1)[nH]c(=O)n2-c1cccc(OC(F)F)c1
InChIInChI=1S/C16H11F3N2O4/c1-24-14(22)8-5-11(17)13-12(6-8)20-16(23)21(13)9-3-2-4-10(7-9)25-15(18)19/h2-7,15H,1H3,(H,20,23)
InChIKeyNTOUANOMVMQBOP-UHFFFAOYSA-N
XLogP2.85
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-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

Related Compounds

methyl 6-chloro-1-[3-(difluoromethoxy)phenyl]-2-oxo-3H-benzimidazole-5-carboxylate
CID 164735083
methyl 1-[3-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-2-oxobenzimidazole-5-carboxylate
CID 164735018
methyl 3-[3-(difluoromethoxy)phenyl]-1-(4-fluorophenyl)-2-oxoimidazo[4,5-b]pyridine-6-carboxylate
CID 163241902
methyl 4-(difluoromethoxy)-3,5-difluorobenzoate
CID 134648316
methyl 1-[3-(difluoromethoxy)phenyl]-2-oxo-3H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 163242217
methyl 1-[3-(difluoromethoxy)phenyl]indole-5-carboxylate
CID 163242205
methyl 3-(4-fluorophenyl)-2-oxo-1H-benzimidazole-5-carboxylate
CID 164735105
methyl 6-chloro-1-[3-(difluoromethoxy)phenyl]-2-oxo-3-propan-2-ylbenzimidazole-5-carboxylate
CID 163242126
methyl 3-fluoro-4-(2-oxo-3H-imidazo[4,5-c]pyridin-1-yl)benzoate
CID 141422866
4-[3-(difluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
CID 112758289
methyl 4-[6-fluoro-7-(methylamino)-2,4-dioxo-1H-quinazolin-3-yl]benzoate
CID 59556258
methyl 2-(difluoromethoxy)-6-fluorobenzoate
CID 59487507

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate?
The IUPAC name of methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate (CID 164735061) is methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate?
The canonical SMILES for methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate is COC(=O)c1cc(F)c2c(c1)[nH]c(=O)n2-c1cccc(OC(F)F)c1.
What is the InChIKey of methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate?
The InChIKey is NTOUANOMVMQBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O4/c1-24-14(22)8-5-11(17)13-12(6-8)20-16(23)21(13)9-3-2-4-10(7-9)25-15(18)19/h2-7,15H,1H3,(H,20,23).
What are the key properties of methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate?
methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate has a molecular weight of 352.27 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(difluoromethoxy)phenyl]-7-fluoro-2-oxo-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 164735061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).