1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine

C32H22F3N7O — CID 135714865

IUPAC1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCn1c(Nc2cccc(-c3ccncc3)c2)nc2cc(Oc3ccnc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)ccc21
InChIInChI=1S/C32H22F3N7O/c1-42-29-8-6-23(17-27(29)41-31(42)38-22-4-2-3-20(15-22)19-9-12-36-13-10-19)43-24-11-14-37-28(18-24)30-39-25-7-5-21(32(33,34)35)16-26(25)40-30/h2-18H,1H3,(H,38,41)(H,39,40)
InChIKeyXNLRKCGZSXCYDY-UHFFFAOYSA-N
MW577.57 g/mol
LogP8.13
Rot. Bonds6

About 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine

1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (PubChem CID 135714865) has the molecular formula C32H22F3N7O and a molecular weight of 577.57 g/mol. Its IUPAC name is 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
PubChem CID135714865
Molecular FormulaC32H22F3N7O
Molecular Weight577.57 g/mol
Exact Mass577.18
IUPAC Name1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine
SMILESCn1c(Nc2cccc(-c3ccncc3)c2)nc2cc(Oc3ccnc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)ccc21
InChIInChI=1S/C32H22F3N7O/c1-42-29-8-6-23(17-27(29)41-31(42)38-22-4-2-3-20(15-22)19-9-12-36-13-10-19)43-24-11-14-37-28(18-24)30-39-25-7-5-21(32(33,34)35)16-26(25)40-30/h2-18H,1H3,(H,38,41)(H,39,40)
InChIKeyXNLRKCGZSXCYDY-UHFFFAOYSA-N
XLogP8.13
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.57
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine (CID 135714865) is 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is Cn1c(Nc2cccc(-c3ccncc3)c2)nc2cc(Oc3ccnc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)c3)ccc21.
What is the InChIKey of 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
The InChIKey is XNLRKCGZSXCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22F3N7O/c1-42-29-8-6-23(17-27(29)41-31(42)38-22-4-2-3-20(15-22)19-9-12-36-13-10-19)43-24-11-14-37-28(18-24)30-39-25-7-5-21(32(33,34)35)16-26(25)40-30/h2-18H,1H3,(H,38,41)(H,39,40).
What are the key properties of 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine?
1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine has a molecular weight of 577.57 g/mol, XLogP of 8.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-pyridin-4-ylphenyl)-5-[[2-[5-(trifluoromethyl)-1H-benzimidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-amine is sourced from PubChem (CID 135714865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).