methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate

C20H14FN3O2 — CID 146316027

IUPACmethyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)c(F)c32)cc1
InChIInChI=1S/C20H14FN3O2/c1-26-20(25)14-2-4-15(5-3-14)24-12-23-17-7-6-16(18(21)19(17)24)13-8-10-22-11-9-13/h2-12H,1H3
InChIKeySCOVSQDPCCZUST-UHFFFAOYSA-N
MW347.35 g/mol
LogP4.01
Rot. Bonds3

About methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate

methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate (PubChem CID 146316027) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
PubChem CID146316027
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Namemethyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate
SMILESCOC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)c(F)c32)cc1
InChIInChI=1S/C20H14FN3O2/c1-26-20(25)14-2-4-15(5-3-14)24-12-23-17-7-6-16(18(21)19(17)24)13-8-10-22-11-9-13/h2-12H,1H3
InChIKeySCOVSQDPCCZUST-UHFFFAOYSA-N
XLogP4.01
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate 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 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate?
The IUPAC name of methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate (CID 146316027) is methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate.
What is the SMILES notation for methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate?
The canonical SMILES for methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate is COC(=O)c1ccc(-n2cnc3ccc(-c4ccncc4)c(F)c32)cc1.
What is the InChIKey of methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate?
The InChIKey is SCOVSQDPCCZUST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-26-20(25)14-2-4-15(5-3-14)24-12-23-17-7-6-16(18(21)19(17)24)13-8-10-22-11-9-13/h2-12H,1H3.
What are the key properties of methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate?
methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate has a molecular weight of 347.35 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(7-fluoro-6-pyridin-4-ylbenzimidazol-1-yl)benzoate is sourced from PubChem (CID 146316027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).