1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C28H26F4N4O3 — CID 44524473

IUPAC1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H25FN4O.C2HF3O2/c27-22-9-10-23-24(15-22)30-26(29-23)21-7-5-19(6-8-21)18-3-1-17(2-4-18)16-31-13-11-20(12-14-31)25(28)32;3-2(4,5)1(6)7/h1-10,15,20H,11-14,16H2,(H2,28,32)(H,29,30);(H,6,7)
InChIKeyFZGAHDBJHRHZCX-UHFFFAOYSA-N
MW542.53 g/mol
LogP5.37
Rot. Bonds5

About 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44524473) has the molecular formula C28H26F4N4O3 and a molecular weight of 542.53 g/mol. Its IUPAC name is 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44524473
Molecular FormulaC28H26F4N4O3
Molecular Weight542.53 g/mol
Exact Mass542.19
IUPAC Name1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C26H25FN4O.C2HF3O2/c27-22-9-10-23-24(15-22)30-26(29-23)21-7-5-19(6-8-21)18-3-1-17(2-4-18)16-31-13-11-20(12-14-31)25(28)32;3-2(4,5)1(6)7/h1-10,15,20H,11-14,16H2,(H2,28,32)(H,29,30);(H,6,7)
InChIKeyFZGAHDBJHRHZCX-UHFFFAOYSA-N
XLogP5.37
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.53
LogP ≤ 55.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-[4-[4-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526446
4-[2-[4-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526514
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidin-3-ol
CID 44526297
3-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]propanenitrile;2,2,2-trifluoroacetic acid
CID 44526352
4-[2-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine;2,2,2-trifluoroacetic acid
CID 44526500
2-[3-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526464
6-fluoro-2-[4-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]phenyl]-1H-benzimidazole
CID 44525093
6-[4-[[4-[5-(6-fluoro-1H-benzimidazol-2-yl)thiophen-2-yl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 44525271
6-[4-[[3-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 44525259
2,2,2-trifluoroacetic acid;6-[4-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 44525267
2-[4-[3-[[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methyl]phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526314
2-[4-[(1-benzylpiperidin-4-yl)methoxy]phenyl]-3H-benzimidazole-5-carboxamide
CID 11524997

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 44524473) is 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1CCN(Cc2ccc(-c3ccc(-c4nc5ccc(F)cc5[nH]4)cc3)cc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is FZGAHDBJHRHZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O.C2HF3O2/c27-22-9-10-23-24(15-22)30-26(29-23)21-7-5-19(6-8-21)18-3-1-17(2-4-18)16-31-13-11-20(12-14-31)25(28)32;3-2(4,5)1(6)7/h1-10,15,20H,11-14,16H2,(H2,28,32)(H,29,30);(H,6,7).
What are the key properties of 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 542.53 g/mol, XLogP of 5.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(6-fluoro-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44524473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).