N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

C16H14FN3O2 — CID 6458673

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FN3O2/c1-19-13-8-7-12(9-14(13)20(2)16(19)22)18-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,21)
InChIKeyYKTNRZSFACZXPS-UHFFFAOYSA-N
MW299.31 g/mol
LogP2.27
Rot. Bonds2

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (PubChem CID 6458673) has the molecular formula C16H14FN3O2 and a molecular weight of 299.31 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
PubChem CID6458673
Molecular FormulaC16H14FN3O2
Molecular Weight299.31 g/mol
Exact Mass299.11
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21
InChIInChI=1S/C16H14FN3O2/c1-19-13-8-7-12(9-14(13)20(2)16(19)22)18-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,21)
InChIKeyYKTNRZSFACZXPS-UHFFFAOYSA-N
XLogP2.27
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide 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 N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide (CID 6458673) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(F)cc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
The InChIKey is YKTNRZSFACZXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O2/c1-19-13-8-7-12(9-14(13)20(2)16(19)22)18-15(21)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide has a molecular weight of 299.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-fluorobenzamide is sourced from PubChem (CID 6458673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).