[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone

C21H12ClF3N2O — CID 68698972

IUPAC[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H12ClF3N2O/c22-16-10-9-14(11-15(16)21(23,24)25)19(28)12-5-7-13(8-6-12)20-26-17-3-1-2-4-18(17)27-20/h1-11H,(H,26,27)
InChIKeyOSDJRGIZHOADDD-UHFFFAOYSA-N
MW400.79 g/mol
LogP6.13
Rot. Bonds3

About [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone

[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 68698972) has the molecular formula C21H12ClF3N2O and a molecular weight of 400.79 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone
PubChem CID68698972
Molecular FormulaC21H12ClF3N2O
Molecular Weight400.79 g/mol
Exact Mass400.06
IUPAC Name[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C21H12ClF3N2O/c22-16-10-9-14(11-15(16)21(23,24)25)19(28)12-5-7-13(8-6-12)20-26-17-3-1-2-4-18(17)27-20/h1-11H,(H,26,27)
InChIKeyOSDJRGIZHOADDD-UHFFFAOYSA-N
XLogP6.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.79
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1H-benzimidazol-2-yl)phenyl]-(2,5-dichlorophenyl)methanone
CID 59165209
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2,2-trifluoroacetamide
CID 17334874
4-(1H-benzimidazol-2-yl)benzamide
CID 56736972
N-[4-(6-benzoyl-1H-benzimidazol-2-yl)phenyl]-2,2,2-trifluoroacetamide
CID 1231005
2-[4-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]-1H-benzimidazole
CID 168554182
2-[4-iodo-3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 168555765
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
benzene-1,4-dicarboxamide;2-phenyl-1H-benzimidazole
CID 67481934
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-2,2-dimethylpropanamide
CID 17100751
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone (CID 68698972) is [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is OSDJRGIZHOADDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12ClF3N2O/c22-16-10-9-14(11-15(16)21(23,24)25)19(28)12-5-7-13(8-6-12)20-26-17-3-1-2-4-18(17)27-20/h1-11H,(H,26,27).
What are the key properties of [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
[4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 400.79 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)phenyl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 68698972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).