2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide

C14H11FN4O — CID 63565257

IUPAC2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11FN4O/c15-9-5-3-4-8(12(9)16)13(20)19-14-17-10-6-1-2-7-11(10)18-14/h1-7H,16H2,(H2,17,18,19,20)
InChIKeyWERFPIDZCWDONT-UHFFFAOYSA-N
MW270.27 g/mol
LogP2.54
Rot. Bonds2

About 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide

2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide (PubChem CID 63565257) has the molecular formula C14H11FN4O and a molecular weight of 270.27 g/mol. Its IUPAC name is 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
PubChem CID63565257
Molecular FormulaC14H11FN4O
Molecular Weight270.27 g/mol
Exact Mass270.09
IUPAC Name2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide
SMILESNc1c(F)cccc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11FN4O/c15-9-5-3-4-8(12(9)16)13(20)19-14-17-10-6-1-2-7-11(10)18-14/h1-7H,16H2,(H2,17,18,19,20)
InChIKeyWERFPIDZCWDONT-UHFFFAOYSA-N
XLogP2.54
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.27
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide 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

N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-5-chloro-2-fluorobenzamide
CID 51229012
2-amino-N-(1H-benzimidazol-2-yl)-3-fluoropyridine-4-carboxamide
CID 105386285
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
3-amino-N-(1H-benzimidazol-2-yl)benzamide
CID 62060005
(Z)-N-(1H-benzimidazol-2-yl)-3-(2-fluorophenyl)but-2-enamide
CID 60575761
N-(1H-benzimidazol-2-yl)-2-hydrazinylpyridine-3-carboxamide
CID 63563952
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
N-(1H-benzimidazol-2-yl)-5-chloro-2-hydrazinylbenzamide
CID 63563955
5-amino-N-(1H-benzimidazol-2-yl)pyridine-2-carboxamide
CID 81316691
2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
CID 115413254
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide (CID 63565257) is 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide is Nc1c(F)cccc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
The InChIKey is WERFPIDZCWDONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O/c15-9-5-3-4-8(12(9)16)13(20)19-14-17-10-6-1-2-7-11(10)18-14/h1-7H,16H2,(H2,17,18,19,20).
What are the key properties of 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide?
2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide has a molecular weight of 270.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1H-benzimidazol-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 63565257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).