2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane

C25H22F5N3O — CID 171637730

IUPAC2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane
SMILESCC.O=C(Nc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)c1ccccc1C(F)F
InChIInChI=1S/C23H16F5N3O.C2H6/c24-21(25)16-3-1-2-4-17(16)22(32)29-15-8-5-13(6-9-15)11-20-30-18-10-7-14(23(26,27)28)12-19(18)31-20;1-2/h1-10,12,21H,11H2,(H,29,32)(H,30,31);1-2H3
InChIKeyAPGHPKDHESBEAI-UHFFFAOYSA-N
MW475.46 g/mol
LogP7.39
Rot. Bonds5

About 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane

2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane (PubChem CID 171637730) has the molecular formula C25H22F5N3O and a molecular weight of 475.46 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane
PubChem CID171637730
Molecular FormulaC25H22F5N3O
Molecular Weight475.46 g/mol
Exact Mass475.17
IUPAC Name2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane
SMILESCC.O=C(Nc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)c1ccccc1C(F)F
InChIInChI=1S/C23H16F5N3O.C2H6/c24-21(25)16-3-1-2-4-17(16)22(32)29-15-8-5-13(6-9-15)11-20-30-18-10-7-14(23(26,27)28)12-19(18)31-20;1-2/h1-10,12,21H,11H2,(H,29,32)(H,30,31);1-2H3
InChIKeyAPGHPKDHESBEAI-UHFFFAOYSA-N
XLogP7.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.46
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-hydroxy-3-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]prop-2-enamide;hydrochloride
CID 160812157
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 141434696
2-benzyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526638
2-[(4-tert-butylphenyl)methyl]-3H-benzimidazole-5-carboxylic acid
CID 145226643
2-[(4-acetamidophenyl)methyl]-N-[(4-fluorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 46328885
2-[(4-methoxyphenyl)methyl]-N-[(Z)-[3-(trifluoromethyl)phenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 110526516
2-[(3-chlorophenyl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 81455928
3-methyl-N-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,2-thiazole-4-carboxamide
CID 122136688
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]-2-oxochromene-3-carboxamide
CID 20930875
[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamic acid
CID 122583322
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
(2S)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]phenyl]acetamide
CID 51688226

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane?
The IUPAC name of 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane (CID 171637730) is 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane.
What is the SMILES notation for 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane?
The canonical SMILES for 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane is CC.O=C(Nc1ccc(Cc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1)c1ccccc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane?
The InChIKey is APGHPKDHESBEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F5N3O.C2H6/c24-21(25)16-3-1-2-4-17(16)22(32)29-15-8-5-13(6-9-15)11-20-30-18-10-7-14(23(26,27)28)12-19(18)31-20;1-2/h1-10,12,21H,11H2,(H,29,32)(H,30,31);1-2H3.
What are the key properties of 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane?
2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane has a molecular weight of 475.46 g/mol, XLogP of 7.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]phenyl]benzamide;ethane is sourced from PubChem (CID 171637730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).