5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

C21H14F4N4O — CID 174549252

IUPAC5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESNc1ccc(F)c(C(=O)Nc2ccc(-n3c(C(F)(F)F)nc4ccccc43)cc2)c1
InChIInChI=1S/C21H14F4N4O/c22-16-10-5-12(26)11-15(16)19(30)27-13-6-8-14(9-7-13)29-18-4-2-1-3-17(18)28-20(29)21(23,24)25/h1-11H,26H2,(H,27,30)
InChIKeyNQBOKRSRFQQUIY-UHFFFAOYSA-N
MW414.36 g/mol
LogP5.02
Rot. Bonds3

About 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide

5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (PubChem CID 174549252) has the molecular formula C21H14F4N4O and a molecular weight of 414.36 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
PubChem CID174549252
Molecular FormulaC21H14F4N4O
Molecular Weight414.36 g/mol
Exact Mass414.11
IUPAC Name5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
SMILESNc1ccc(F)c(C(=O)Nc2ccc(-n3c(C(F)(F)F)nc4ccccc43)cc2)c1
InChIInChI=1S/C21H14F4N4O/c22-16-10-5-12(26)11-15(16)19(30)27-13-6-8-14(9-7-13)29-18-4-2-1-3-17(18)28-20(29)21(23,24)25/h1-11H,26H2,(H,27,30)
InChIKeyNQBOKRSRFQQUIY-UHFFFAOYSA-N
XLogP5.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.36
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-[4-[6-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59614652
N-[1-(2,3-difluorophenyl)ethenyl]-4-[2-(trifluoromethyl)benzimidazol-1-yl]aniline;ethane
CID 143549914
2,4-difluoro-N-[4-[5-methyl-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 143549874
3-[3-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]aniline
CID 10132742
2,3-difluoro-N-[4-[5-(hydroxymethyl)-6-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 59004203
1-[4-[(3-fluoropyridine-4-carbonyl)amino]phenyl]-2-(trifluoromethyl)benzimidazole-5-carbonyl azide
CID 143549955
3-methoxy-N-[4-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide
CID 11619091
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide
CID 141143760
N,1-bis(4-aminophenyl)indole-2-carboxamide
CID 159247569
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
5-amino-2-fluoro-N-(2-fluorophenyl)benzamide
CID 43510738
6-amino-3-(4-hydroxyphenyl)-2-(trifluoromethyl)quinazolin-4-one
CID 16641661

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The IUPAC name of 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide (CID 174549252) is 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is Nc1ccc(F)c(C(=O)Nc2ccc(-n3c(C(F)(F)F)nc4ccccc43)cc2)c1.
What is the InChIKey of 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
The InChIKey is NQBOKRSRFQQUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4O/c22-16-10-5-12(26)11-15(16)19(30)27-13-6-8-14(9-7-13)29-18-4-2-1-3-17(18)28-20(29)21(23,24)25/h1-11H,26H2,(H,27,30).
What are the key properties of 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide?
5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide has a molecular weight of 414.36 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[4-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]benzamide is sourced from PubChem (CID 174549252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).