N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

C18H14FN5O — CID 666262

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H14FN5O/c1-11-10-16(22-17(25)12-6-2-3-7-13(12)19)24(23-11)18-20-14-8-4-5-9-15(14)21-18/h2-10H,1H3,(H,20,21)(H,22,25)
InChIKeyJNLRRESMVNGFNP-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.45
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (PubChem CID 666262) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
PubChem CID666262
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C18H14FN5O/c1-11-10-16(22-17(25)12-6-2-3-7-13(12)19)24(23-11)18-20-14-8-4-5-9-15(14)21-18/h2-10H,1H3,(H,20,21)(H,22,25)
InChIKeyJNLRRESMVNGFNP-UHFFFAOYSA-N
XLogP3.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-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-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide (CID 666262) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is Cc1cc(NC(=O)c2ccccc2F)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
The InChIKey is JNLRRESMVNGFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-11-10-16(22-17(25)12-6-2-3-7-13(12)19)24(23-11)18-20-14-8-4-5-9-15(14)21-18/h2-10H,1H3,(H,20,21)(H,22,25).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide has a molecular weight of 335.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2-fluorobenzamide is sourced from PubChem (CID 666262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).