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

C24H16F6N6O — CID 89425070

IUPAC1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3cncc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21
InChIInChI=1S/C24H16F6N6O/c1-36-19-7-6-16(9-18(19)34-22(36)33-15-4-2-14(3-5-15)23(25,26)27)37-17-8-13(10-31-11-17)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
InChIKeyCYHRNUQLPZZUBN-UHFFFAOYSA-N
MW518.42 g/mol
LogP6.93
Rot. Bonds5

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

1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (PubChem CID 89425070) has the molecular formula C24H16F6N6O and a molecular weight of 518.42 g/mol. Its IUPAC name is 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
PubChem CID89425070
Molecular FormulaC24H16F6N6O
Molecular Weight518.42 g/mol
Exact Mass518.13
IUPAC Name1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
SMILESCn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3cncc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21
InChIInChI=1S/C24H16F6N6O/c1-36-19-7-6-16(9-18(19)34-22(36)33-15-4-2-14(3-5-15)23(25,26)27)37-17-8-13(10-31-11-17)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
InChIKeyCYHRNUQLPZZUBN-UHFFFAOYSA-N
XLogP6.93
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.42
LogP ≤ 56.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine;sulfuric acid
CID 24788799
4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91351416
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
N-[[4-[[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 88944066
2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
CID 69035653
N-[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 59790124
methyl 5-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxypyridine-3-carboxylate
CID 22040538
tert-butyl 4-[2-(4-fluoroanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylate
CID 21037368
5-[[2-(6-chloro-1H-benzimidazol-2-yl)-4-pyridinyl]oxy]-1-methyl-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 22040474
4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxypyridine-2-carbonitrile
CID 70839088
N-(2,3-dihydro-1H-inden-5-yl)-1-methyl-5-pyridin-4-yloxybenzimidazol-2-amine
CID 142682626
2-[1-methyl-5-[[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]-4-pyridinyl]oxy]benzimidazol-2-yl]-3-(trifluoromethyl)aniline
CID 87725786

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The IUPAC name of 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine (CID 89425070) is 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The canonical SMILES for 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3cncc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21.
What is the InChIKey of 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
The InChIKey is CYHRNUQLPZZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F6N6O/c1-36-19-7-6-16(9-18(19)34-22(36)33-15-4-2-14(3-5-15)23(25,26)27)37-17-8-13(10-31-11-17)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34).
What are the key properties of 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine?
1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine has a molecular weight of 518.42 g/mol, XLogP of 6.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[5-[5-(trifluoromethyl)-1H-imidazol-2-yl]-3-pyridinyl]oxy]-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine is sourced from PubChem (CID 89425070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).