6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine

C25H22F3N7O — CID 157041999

IUPAC6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCn1cncc1Cc1ccc(Nc2nc3ccc(Oc4ccnc(N)c4)cc3n2C)cc1C(F)(F)F
InChIInChI=1S/C25H22F3N7O/c1-34-14-30-13-17(34)9-15-3-4-16(10-20(15)25(26,27)28)32-24-33-21-6-5-18(11-22(21)35(24)2)36-19-7-8-31-23(29)12-19/h3-8,10-14H,9H2,1-2H3,(H2,29,31)(H,32,33)
InChIKeyUCKKHWBBLVNLDE-UHFFFAOYSA-N
MW493.49 g/mol
LogP5.43
Rot. Bonds6

About 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine

6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 157041999) has the molecular formula C25H22F3N7O and a molecular weight of 493.49 g/mol. Its IUPAC name is 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID157041999
Molecular FormulaC25H22F3N7O
Molecular Weight493.49 g/mol
Exact Mass493.18
IUPAC Name6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCn1cncc1Cc1ccc(Nc2nc3ccc(Oc4ccnc(N)c4)cc3n2C)cc1C(F)(F)F
InChIInChI=1S/C25H22F3N7O/c1-34-14-30-13-17(34)9-15-3-4-16(10-20(15)25(26,27)28)32-24-33-21-6-5-18(11-22(21)35(24)2)36-19-7-8-31-23(29)12-19/h3-8,10-14H,9H2,1-2H3,(H2,29,31)(H,32,33)
InChIKeyUCKKHWBBLVNLDE-UHFFFAOYSA-N
XLogP5.43
TPSA95.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.49
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine with MolForge

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Related Compounds

Crenolanib
CID 10366136
Raf265
CID 11656518
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
2-Aminobenzimidazole, 12
CID 17755723
CP-673451
CID 10158940
Benzimidazole-urea, 33
CID 10206527
Benzimidazole-urea, 31
CID 10278843
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 16731782
(4-chloro-3-trifluoromethyl-phenyl)-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755115
(4-chloro-3-trifluoromethyl-phenyl)-[5-(pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755722
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-{1H-pyrrolo[2,3-b]pyridin-4-yloxy}-1H-1,3-benzodiazol-2-amine
CID 17755724
1-Methyl-2-[3-(trifluoromethyl)phenylamino]-5-[2-(methylcarbamoyl)-4-pyridinyloxy]-1H-benzoimidazole
CID 22040941

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 157041999) is 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine is Cn1cncc1Cc1ccc(Nc2nc3ccc(Oc4ccnc(N)c4)cc3n2C)cc1C(F)(F)F.
What is the InChIKey of 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is UCKKHWBBLVNLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N7O/c1-34-14-30-13-17(34)9-15-3-4-16(10-20(15)25(26,27)28)32-24-33-21-6-5-18(11-22(21)35(24)2)36-19-7-8-31-23(29)12-19/h3-8,10-14H,9H2,1-2H3,(H2,29,31)(H,32,33).
What are the key properties of 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine?
6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 493.49 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-4-pyridinyl)oxy]-1-methyl-N-[4-[(3-methylimidazol-4-yl)methyl]-3-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 157041999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).