1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

C25H18F6N6O — CID 90695710

IUPAC1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCn1cc(C(F)(F)F)nc1-c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(F)(F)F)cc2)n3C)ccn1
InChIInChI=1S/C25H18F6N6O/c1-36-13-21(25(29,30)31)35-22(36)19-12-17(9-10-32-19)38-16-7-8-20-18(11-16)34-23(37(20)2)33-15-5-3-14(4-6-15)24(26,27)28/h3-13H,1-2H3,(H,33,34)
InChIKeyIXWIPZONZUJWRO-UHFFFAOYSA-N
MW532.45 g/mol
LogP6.94
Rot. Bonds5

About 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 90695710) has the molecular formula C25H18F6N6O and a molecular weight of 532.45 g/mol. Its IUPAC name is 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID90695710
Molecular FormulaC25H18F6N6O
Molecular Weight532.45 g/mol
Exact Mass532.14
IUPAC Name1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCn1cc(C(F)(F)F)nc1-c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(F)(F)F)cc2)n3C)ccn1
InChIInChI=1S/C25H18F6N6O/c1-36-13-21(25(29,30)31)35-22(36)19-12-17(9-10-32-19)38-16-7-8-20-18(11-16)34-23(37(20)2)33-15-5-3-14(4-6-15)24(26,27)28/h3-13H,1-2H3,(H,33,34)
InChIKeyIXWIPZONZUJWRO-UHFFFAOYSA-N
XLogP6.94
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.45
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
2,4-Disubstituted Pyrimidine 2f
CID 5329419
Benzimidazole-urea, 33
CID 10206527
Benzimidazole-urea, 31
CID 10278843
(4-chloro-3-trifluoromethyl-phenyl)-[6-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1H-benzimidazol-2-yl]-amine
CID 17755115
3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-{4-[(2-{[2-(4-methylpiperazin-1-yl)ethyl]amino}-1H-1,3-benzodiazol-6-yl)oxy]phenyl}urea
CID 17755233
5-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)-2-({2-[(methoxycarbonyl)amino]-1H-1,3-benzodiazol-6-yl}oxy)-1-oxidopyridin-1-ium
CID 17755330
(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
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 90695710) is 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is Cn1cc(C(F)(F)F)nc1-c1cc(Oc2ccc3c(c2)nc(Nc2ccc(C(F)(F)F)cc2)n3C)ccn1.
What is the InChIKey of 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is IXWIPZONZUJWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F6N6O/c1-36-13-21(25(29,30)31)35-22(36)19-12-17(9-10-32-19)38-16-7-8-20-18(11-16)34-23(37(20)2)33-15-5-3-14(4-6-15)24(26,27)28/h3-13H,1-2H3,(H,33,34).
What are the key properties of 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 532.45 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[2-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 90695710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).