2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid

C23H22F3N5O3 — CID 154887192

IUPAC2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cc(NC(=O)Cn2cnc3ccccc32)n(-c2ccccc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N5O.C2HF3O2/c1-15(2)18-12-20(26(24-18)16-8-4-3-5-9-16)23-21(27)13-25-14-22-17-10-6-7-11-19(17)25;3-2(4,5)1(6)7/h3-12,14-15H,13H2,1-2H3,(H,23,27);(H,6,7)
InChIKeyUQZVRYCCURITOY-UHFFFAOYSA-N
MW473.46 g/mol
LogP4.62
Rot. Bonds5

About 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid

2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 154887192) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID154887192
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(C)c1cc(NC(=O)Cn2cnc3ccccc32)n(-c2ccccc2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H21N5O.C2HF3O2/c1-15(2)18-12-20(26(24-18)16-8-4-3-5-9-16)23-21(27)13-25-14-22-17-10-6-7-11-19(17)25;3-2(4,5)1(6)7/h3-12,14-15H,13H2,1-2H3,(H,23,27);(H,6,7)
InChIKeyUQZVRYCCURITOY-UHFFFAOYSA-N
XLogP4.62
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzimidazol-1-yl)-N-[2-(3-methylbutan-2-yl)pyrazol-3-yl]acetamide
CID 45246652
2-(benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 744841
N-[2-(benzimidazol-1-yl)ethyl]-5-(2-methylpropanoylamino)-1-phenylpyrazole-3-carboxamide
CID 51998470
2-(benzimidazol-1-yl)-N-[(2S)-2-phenylpropyl]acetamide
CID 51646878
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
3-[methyl-[(1-phenyl-3-propan-2-ylpyrazol-5-yl)carbamoyl]amino]propanoic acid
CID 122093816
2-(benzimidazol-1-yl)-N-[3-(methylamino)phenyl]acetamide
CID 70918719
2-(benzimidazol-1-yl)-N-[1-(3-methylphenyl)pyrazol-3-yl]acetamide
CID 16678852
4-[[2-(benzimidazol-1-yl)acetyl]amino]-3-methylbutanoic acid
CID 81064314
2-(benzimidazol-1-yl)-N-(3-phenylphenyl)acetamide;hydrochloride
CID 66899593
4-[[2-(benzimidazol-1-yl)acetyl]amino]-2-methylbutanoic acid
CID 80538626
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 46427744

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid (CID 154887192) is 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid is CC(C)c1cc(NC(=O)Cn2cnc3ccccc32)n(-c2ccccc2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is UQZVRYCCURITOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O.C2HF3O2/c1-15(2)18-12-20(26(24-18)16-8-4-3-5-9-16)23-21(27)13-25-14-22-17-10-6-7-11-19(17)25;3-2(4,5)1(6)7/h3-12,14-15H,13H2,1-2H3,(H,23,27);(H,6,7).
What are the key properties of 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid?
2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 473.46 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-(1-phenyl-3-propan-2-ylpyrazol-5-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).