N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide

C23H19F3N4O — CID 118118132

IUPACN-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2-c1cccc(N)c1
InChIInChI=1S/C23H19F3N4O/c1-2-14-9-10-20-19(11-14)28-22(30(20)18-8-4-7-17(27)13-18)29-21(31)15-5-3-6-16(12-15)23(24,25)26/h3-13H,2,27H2,1H3,(H,28,29,31)
InChIKeyOJHGUUGPCHDVMS-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.44
Rot. Bonds4

About N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide

N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 118118132) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID118118132
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC NameN-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2-c1cccc(N)c1
InChIInChI=1S/C23H19F3N4O/c1-2-14-9-10-20-19(11-14)28-22(30(20)18-8-4-7-17(27)13-18)29-21(31)15-5-3-6-16(12-15)23(24,25)26/h3-13H,2,27H2,1H3,(H,28,29,31)
InChIKeyOJHGUUGPCHDVMS-UHFFFAOYSA-N
XLogP5.44
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.44
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

N-[1-[3-[[(E)-but-2-enoyl]amino]phenyl]-5-methylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 72699742
N-(4-ethylphenyl)-3-(trifluoromethyl)benzamide
CID 2684380
N-[5-(3-oxomorpholin-4-yl)-1-propylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 156570667
(2-amino-1-phenylbenzimidazol-5-yl)methanol;methane;methyl 4-aminobutanoate;N-[5-[(2-oxopyrrolidin-1-yl)methyl]-1-phenylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide;1-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazole-5-carboxylic acid;3-(trifluoromethyl)benzoic acid;hydrochloride
CID 159046021
ethyl 4-[5-(piperidin-1-ylmethyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-1-yl]cyclohexane-1-carboxylate
CID 138657003
4-methyl-2-[2-[2-[2-[4-[[1-phenyl-2-[[3-(trifluoromethyl)benzoyl]amino]benzimidazol-5-yl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]benzenesulfonic acid
CID 138620601
N'-(4-ethylbenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 7925712
N-(1-cyclohexyl-5-fluorobenzimidazol-2-yl)-3-(trifluoromethyl)benzamide
CID 138656728
N-[1-(2-fluoro-3-hydroxy-2-methylpropyl)-5-(2-oxo-1-propoxybutyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 166958127
N-[5-[(2,2-dimethylpropylamino)methyl]-1-[3-(prop-2-enoylamino)phenyl]benzimidazol-2-yl]-3-fluorobenzamide
CID 145278638
N-[5-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-1-(3-hydroxypropyl)benzimidazol-2-yl]-3-(trifluoromethyl)benzamide
CID 126688464
N-[1-ethyl-5-(trifluoromethyl)benzimidazol-2-yl]-4-fluorobenzamide
CID 90719945

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide (CID 118118132) is N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide is CCc1ccc2c(c1)nc(NC(=O)c1cccc(C(F)(F)F)c1)n2-c1cccc(N)c1.
What is the InChIKey of N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is OJHGUUGPCHDVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-2-14-9-10-20-19(11-14)28-22(30(20)18-8-4-7-17(27)13-18)29-21(31)15-5-3-6-16(12-15)23(24,25)26/h3-13H,2,27H2,1H3,(H,28,29,31).
What are the key properties of N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide?
N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 424.43 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)-5-ethylbenzimidazol-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 118118132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).