N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid

C29H24F3N3O2 — CID 44524509

IUPACN-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C27H23N3.C2HF3O2/c1-2-6-20(7-3-1)18-28-19-21-10-12-22(13-11-21)23-14-16-24(17-15-23)27-29-25-8-4-5-9-26(25)30-27;3-2(4,5)1(6)7/h1-17,28H,18-19H2,(H,29,30);(H,6,7)
InChIKeyYLCDLJMENNOQMI-UHFFFAOYSA-N
MW503.52 g/mol
LogP6.82
Rot. Bonds6

About N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid

N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 44524509) has the molecular formula C29H24F3N3O2 and a molecular weight of 503.52 g/mol. Its IUPAC name is N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID44524509
Molecular FormulaC29H24F3N3O2
Molecular Weight503.52 g/mol
Exact Mass503.18
IUPAC NameN-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1
InChIInChI=1S/C27H23N3.C2HF3O2/c1-2-6-20(7-3-1)18-28-19-21-10-12-22(13-11-21)23-14-16-24(17-15-23)27-29-25-8-4-5-9-26(25)30-27;3-2(4,5)1(6)7/h1-17,28H,18-19H2,(H,29,30);(H,6,7)
InChIKeyYLCDLJMENNOQMI-UHFFFAOYSA-N
XLogP6.82
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.52
LogP ≤ 56.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[[[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524695
1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524498
3-[4-(1H-benzimidazol-2-yl)phenyl]propanoic acid
CID 122561896
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]oxan-4-amine;2,2,2-trifluoroacetic acid
CID 44524242
1-(4-methylsulfonylphenyl)-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524852
N-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]ethanamine
CID 44524235
N-[[4-(1H-benzimidazol-2-yl)phenyl]methyl]-1-cyanocyclobutane-1-carboxamide
CID 71875149
1-phenyl-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524496
N'-[[4-[3-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-N,N,N'-trimethylethane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 44524232
2-[3-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526464
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
2-[[4-(1H-benzimidazol-2-yl)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975904

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid (CID 44524509) is N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(CNCc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)cc1.
What is the InChIKey of N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is YLCDLJMENNOQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3.C2HF3O2/c1-2-6-20(7-3-1)18-28-19-21-10-12-22(13-11-21)23-14-16-24(17-15-23)27-29-25-8-4-5-9-26(25)30-27;3-2(4,5)1(6)7/h1-17,28H,18-19H2,(H,29,30);(H,6,7).
What are the key properties of N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid?
N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 503.52 g/mol, XLogP of 6.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44524509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).