N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C25H20F3N7O — CID 24983340

IUPACN-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2C)n1
InChIInChI=1S/C25H20F3N7O/c1-14-12-16(32-24-34-19-7-5-15(25(26,27)28)13-20(19)35-24)6-8-21(14)36-22-17(4-3-10-30-22)18-9-11-31-23(29-2)33-18/h3-13H,1-2H3,(H,29,31,33)(H2,32,34,35)
InChIKeyATRPQMWXVVIWMO-UHFFFAOYSA-N
MW491.48 g/mol
LogP6.32
Rot. Bonds6

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

N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 24983340) has the molecular formula C25H20F3N7O and a molecular weight of 491.48 g/mol. Its IUPAC name is N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID24983340
Molecular FormulaC25H20F3N7O
Molecular Weight491.48 g/mol
Exact Mass491.17
IUPAC NameN-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2C)n1
InChIInChI=1S/C25H20F3N7O/c1-14-12-16(32-24-34-19-7-5-15(25(26,27)28)13-20(19)35-24)6-8-21(14)36-22-17(4-3-10-30-22)18-9-11-31-23(29-2)33-18/h3-13H,1-2H3,(H,29,31,33)(H2,32,34,35)
InChIKeyATRPQMWXVVIWMO-UHFFFAOYSA-N
XLogP6.32
TPSA100.64 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.48
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-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

Related Compounds

Raf265
CID 11656518
N-(1-(8-((3-methyl-4-((1-methyl-1H-benzo(d)imidazol-5-yl)oxy)phenyl)amino)pyrimido(5,4-d)pyrimidin-2-yl)piperidin-4-yl)acrylamide
CID 160283094
1-(2-fluoro-4-((5-methyl-5H-pyrrolo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15949613
N-[3-methyl-4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-1H-benzimidazol-2-amine
CID 16733534
2-Aminobenzimidazole, 12
CID 17755723
Benzimidazole-urea, 33
CID 10206527
Benzimidazole-urea, 31
CID 10278843
3-ethyl-1-[6-methoxy-5-(2-methoxypyrimidin-5-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 11624303
Type II inhibitor, 5
CID 16061468
N-[4-({3-[2-(methylamino)pyrimidin-4-yl]pyridin-2-yl}oxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 16731782
N-{4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}-5-{7H-pyrrolo[2,3-d]pyrimidin-4-yloxy}-1H-1,3-benzodiazol-2-amine
CID 17755214
[4-chloro-3-(4-methyl-piperazin-1-ylmethyl)-phenyl]-[5-(2-methylamino-pyrimidin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755215

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 24983340) is N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccc(C(F)(F)F)cc4[nH]3)cc2C)n1.
What is the InChIKey of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is ATRPQMWXVVIWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N7O/c1-14-12-16(32-24-34-19-7-5-15(25(26,27)28)13-20(19)35-24)6-8-21(14)36-22-17(4-3-10-30-22)18-9-11-31-23(29-2)33-18/h3-13H,1-2H3,(H,29,31,33)(H2,32,34,35).
What are the key properties of N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 491.48 g/mol, XLogP of 6.32, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 24983340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).