7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide

C25H22F3N5O3 — CID 26278402

IUPAC7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C25H22F3N5O3/c1-16(34)32-22-13-18(24(35)30-14-17-5-4-7-20(11-17)36-25(26,27)28)12-21-23(22)33(15-31-21)10-8-19-6-2-3-9-29-19/h2-7,9,11-13,15H,8,10,14H2,1H3,(H,30,35)(H,32,34)
InChIKeyZGJKSTJSHCIPOU-UHFFFAOYSA-N
MW497.48 g/mol
LogP4.46
Rot. Bonds8

About 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide

7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide (PubChem CID 26278402) has the molecular formula C25H22F3N5O3 and a molecular weight of 497.48 g/mol. Its IUPAC name is 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
PubChem CID26278402
Molecular FormulaC25H22F3N5O3
Molecular Weight497.48 g/mol
Exact Mass497.17
IUPAC Name7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)cc2ncn(CCc3ccccn3)c12
InChIInChI=1S/C25H22F3N5O3/c1-16(34)32-22-13-18(24(35)30-14-17-5-4-7-20(11-17)36-25(26,27)28)12-21-23(22)33(15-31-21)10-8-19-6-2-3-9-29-19/h2-7,9,11-13,15H,8,10,14H2,1H3,(H,30,35)(H,32,34)
InChIKeyZGJKSTJSHCIPOU-UHFFFAOYSA-N
XLogP4.46
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.48
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(2-methoxyacetyl)amino]-1-(2-phenylethyl)-N-(2-pyrazin-2-ylethyl)benzimidazole-5-carboxamide
CID 42431979
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 66791237
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
4-(methylsulfanylmethyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 55709365
1-[4-(6-acetamidopyridazin-3-yl)butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118640564
4-pyrazol-1-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 46470263
1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640150
2-(1-methylpyrrol-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 29182663
N-[4-[[3-(trifluoromethoxy)phenyl]methylamino]phenyl]acetamide
CID 73253844
7-methyl-3-oxo-2-(2-pyridin-2-ylethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide
CID 44545169

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
The IUPAC name of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide (CID 26278402) is 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide.
What is the SMILES notation for 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
The canonical SMILES for 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide is CC(=O)Nc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)cc2ncn(CCc3ccccn3)c12.
What is the InChIKey of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
The InChIKey is ZGJKSTJSHCIPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O3/c1-16(34)32-22-13-18(24(35)30-14-17-5-4-7-20(11-17)36-25(26,27)28)12-21-23(22)33(15-31-21)10-8-19-6-2-3-9-29-19/h2-7,9,11-13,15H,8,10,14H2,1H3,(H,30,35)(H,32,34).
What are the key properties of 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide?
7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide has a molecular weight of 497.48 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-1-(2-pyridin-2-ylethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzimidazole-5-carboxamide is sourced from PubChem (CID 26278402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).