4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

C21H14F3N3O — CID 71731138

IUPAC4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)16-9-10-17-18(11-16)27-20(26-17)15-7-3-13(4-8-15)12-1-5-14(6-2-12)19(25)28/h1-11H,(H2,25,28)(H,26,27)
InChIKeyPBSOCPRREXNNKU-UHFFFAOYSA-N
MW381.36 g/mol
LogP5.01
Rot. Bonds3

About 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide

4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (PubChem CID 71731138) has the molecular formula C21H14F3N3O and a molecular weight of 381.36 g/mol. Its IUPAC name is 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
PubChem CID71731138
Molecular FormulaC21H14F3N3O
Molecular Weight381.36 g/mol
Exact Mass381.11
IUPAC Name4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
SMILESNC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H14F3N3O/c22-21(23,24)16-9-10-17-18(11-16)27-20(26-17)15-7-3-13(4-8-15)12-1-5-14(6-2-12)19(25)28/h1-11H,(H2,25,28)(H,26,27)
InChIKeyPBSOCPRREXNNKU-UHFFFAOYSA-N
XLogP5.01
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.36
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
CID 137187151
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
2-(4-aminophenyl)-3H-benzimidazol-5-amine;benzene-1,4-dicarboxamide
CID 174846726
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089

Frequently Asked Questions

What is the IUPAC name of 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The IUPAC name of 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide (CID 71731138) is 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The canonical SMILES for 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is NC(=O)c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)cc1.
What is the InChIKey of 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
The InChIKey is PBSOCPRREXNNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N3O/c22-21(23,24)16-9-10-17-18(11-16)27-20(26-17)15-7-3-13(4-8-15)12-1-5-14(6-2-12)19(25)28/h1-11H,(H2,25,28)(H,26,27).
What are the key properties of 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide?
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide has a molecular weight of 381.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide is sourced from PubChem (CID 71731138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).