N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide

C25H21F3N4O2 — CID 30279791

IUPACN-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)24-31-20-12-6-7-13-21(20)32(24)16-22(33)30-19-11-5-4-10-18(19)23(34)29-15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,29,34)(H,30,33)
InChIKeyOTUZVRFMMNBAOD-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.67
Rot. Bonds7

About N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide

N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide (PubChem CID 30279791) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
PubChem CID30279791
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC NameN-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)24-31-20-12-6-7-13-21(20)32(24)16-22(33)30-19-11-5-4-10-18(19)23(34)29-15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,29,34)(H,30,33)
InChIKeyOTUZVRFMMNBAOD-UHFFFAOYSA-N
XLogP4.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640
N-[2-(2-phenylethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 55674996
N-(3-phenylpropyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27647017
N-[2-(piperidine-1-carbonyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 35275235
N-[2-(difluoromethylsulfanyl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723417
4-chloro-N-[2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]phenyl]benzamide
CID 31965173
N-(4-oxo-1H-pyridin-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51114324
N-(2-bromophenyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 26622776
N-(9,10-dioxoanthracen-1-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 39045058
[2-(benzylamino)-2-oxoethyl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 4779634
N-(2-fluoro-5-methylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40723406
N-(2-morpholin-4-ylphenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4878936

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The IUPAC name of N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide (CID 30279791) is N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide.
What is the SMILES notation for N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The canonical SMILES for N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
The InChIKey is OTUZVRFMMNBAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-25(27,28)24-31-20-12-6-7-13-21(20)32(24)16-22(33)30-19-11-5-4-10-18(19)23(34)29-15-14-17-8-2-1-3-9-17/h1-13H,14-16H2,(H,29,34)(H,30,33).
What are the key properties of N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide?
N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide has a molecular weight of 466.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide is sourced from PubChem (CID 30279791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).