1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine

C28H22F3N3 — CID 44524498

IUPAC1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H22F3N3/c29-28(30,31)24-14-15-25-26(16-24)34-27(33-25)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-32-17-19-4-2-1-3-5-19/h1-16,32H,17-18H2,(H,33,34)
InChIKeyTYYGPVNCPQFCBO-UHFFFAOYSA-N
MW457.50 g/mol
LogP7.21
Rot. Bonds6

About 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine

1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine (PubChem CID 44524498) has the molecular formula C28H22F3N3 and a molecular weight of 457.50 g/mol. Its IUPAC name is 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
PubChem CID44524498
Molecular FormulaC28H22F3N3
Molecular Weight457.50 g/mol
Exact Mass457.18
IUPAC Name1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)[nH]c2c1
InChIInChI=1S/C28H22F3N3/c29-28(30,31)24-14-15-25-26(16-24)34-27(33-25)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-32-17-19-4-2-1-3-5-19/h1-16,32H,17-18H2,(H,33,34)
InChIKeyTYYGPVNCPQFCBO-UHFFFAOYSA-N
XLogP7.21
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.50
LogP ≤ 57.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-N-[[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine
CID 44524496
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
N-[(2-phenyltriazol-4-yl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524989
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-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methyl]-1-phenylmethanamine;2,2,2-trifluoroacetic acid
CID 44524509
2,2,2-trifluoroacetic acid;1-[3-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 44524607
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
methyl 3-[[[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methylamino]methyl]benzoate;2,2,2-trifluoroacetic acid
CID 44524946
[4-[[[3-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]methylamino]methyl]phenyl]methanamine;2,2,2-trifluoroacetic acid
CID 44524695
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine?
The IUPAC name of 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine (CID 44524498) is 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine.
What is the SMILES notation for 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine?
The canonical SMILES for 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine is FC(F)(F)c1ccc2nc(-c3ccc(-c4ccc(CNCc5ccccc5)cc4)cc3)[nH]c2c1.
What is the InChIKey of 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine?
The InChIKey is TYYGPVNCPQFCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N3/c29-28(30,31)24-14-15-25-26(16-24)34-27(33-25)23-12-10-22(11-13-23)21-8-6-20(7-9-21)18-32-17-19-4-2-1-3-5-19/h1-16,32H,17-18H2,(H,33,34).
What are the key properties of 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine?
1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine has a molecular weight of 457.50 g/mol, XLogP of 7.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methyl]methanamine is sourced from PubChem (CID 44524498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).