[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone

C34H23F3N6O2 — CID 21037109

IUPAC[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
SMILESCn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(-c4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)c3)ccc21
InChIInChI=1S/C34H23F3N6O2/c1-43-30-13-11-24(18-28(30)42-33(43)39-23-9-5-8-22(17-23)34(35,36)37)45-25-14-15-38-29(19-25)32-40-26-12-10-21(16-27(26)41-32)31(44)20-6-3-2-4-7-20/h2-19H,1H3,(H,39,42)(H,40,41)
InChIKeyDAFKINXCQDCYJZ-UHFFFAOYSA-N
MW604.59 g/mol
LogP8.30
Rot. Bonds7

About [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone

[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone (PubChem CID 21037109) has the molecular formula C34H23F3N6O2 and a molecular weight of 604.59 g/mol. Its IUPAC name is [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
PubChem CID21037109
Molecular FormulaC34H23F3N6O2
Molecular Weight604.59 g/mol
Exact Mass604.18
IUPAC Name[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone
SMILESCn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(-c4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)c3)ccc21
InChIInChI=1S/C34H23F3N6O2/c1-43-30-13-11-24(18-28(30)42-33(43)39-23-9-5-8-22(17-23)34(35,36)37)45-25-14-15-38-29(19-25)32-40-26-12-10-21(16-27(26)41-32)31(44)20-6-3-2-4-7-20/h2-19H,1H3,(H,39,42)(H,40,41)
InChIKeyDAFKINXCQDCYJZ-UHFFFAOYSA-N
XLogP8.30
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.59
LogP ≤ 58.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone 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

Raf265
CID 11656518
2-[(4-{6-[(2,4-difluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-[(1-ethyl-1H-imidazol-5-yl)methyl]-1H-benzimidazole-6-carboxylic acid
CID 134611223
Benzimidazole-urea, 50
CID 10120050
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(1,1,2,2,2-pentafluoroethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755212
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040656
N-methyl-4-[(2-{[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040857
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937

Frequently Asked Questions

What is the IUPAC name of [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The IUPAC name of [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone (CID 21037109) is [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone.
What is the SMILES notation for [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The canonical SMILES for [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone is Cn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(-c4nc5ccc(C(=O)c6ccccc6)cc5[nH]4)c3)ccc21.
What is the InChIKey of [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
The InChIKey is DAFKINXCQDCYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H23F3N6O2/c1-43-30-13-11-24(18-28(30)42-33(43)39-23-9-5-8-22(17-23)34(35,36)37)45-25-14-15-38-29(19-25)32-40-26-12-10-21(16-27(26)41-32)31(44)20-6-3-2-4-7-20/h2-19H,1H3,(H,39,42)(H,40,41).
What are the key properties of [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone?
[2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone has a molecular weight of 604.59 g/mol, XLogP of 8.30, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-3H-benzimidazol-5-yl]-phenylmethanone is sourced from PubChem (CID 21037109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).