2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide

C22H19F3N6O2 — CID 69035653

IUPAC2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
SMILESCn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(NCC(N)=O)c3)ccc21
InChIInChI=1S/C22H19F3N6O2/c1-31-18-7-6-15(33-16-8-9-27-20(11-16)28-12-19(26)32)10-17(18)30-21(31)29-14-4-2-13(3-5-14)22(23,24)25/h2-11H,12H2,1H3,(H2,26,32)(H,27,28)(H,29,30)
InChIKeySUBMZXNOHLNGLY-UHFFFAOYSA-N
MW456.43 g/mol
LogP4.42
Rot. Bonds7

About 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide

2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide (PubChem CID 69035653) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide.

Molecular Properties

Compound Name2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
PubChem CID69035653
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide
SMILESCn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(NCC(N)=O)c3)ccc21
InChIInChI=1S/C22H19F3N6O2/c1-31-18-7-6-15(33-16-8-9-27-20(11-16)28-12-19(26)32)10-17(18)30-21(31)29-14-4-2-13(3-5-14)22(23,24)25/h2-11H,12H2,1H3,(H2,26,32)(H,27,28)(H,29,30)
InChIKeySUBMZXNOHLNGLY-UHFFFAOYSA-N
XLogP4.42
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 59790124
N-methyl-4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
CID 22041171
4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carbaldehyde
CID 91351416
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
2-amino-N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790226
tert-butyl 4-[2-(4-fluoroanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxylate
CID 21037368
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-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxypyridine-2-carboxamide;molecular hydrogen
CID 159824014
N-[4-[2-(4-bromoanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-(dimethylamino)acetamide
CID 59789972
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 59790196
N-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-2-piperidin-1-ylacetamide
CID 59790061
methyl 2-[4-[2-(3-tert-butylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetate
CID 162200780

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide?
The IUPAC name of 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide (CID 69035653) is 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide.
What is the SMILES notation for 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide?
The canonical SMILES for 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide is Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(NCC(N)=O)c3)ccc21.
What is the InChIKey of 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide?
The InChIKey is SUBMZXNOHLNGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-31-18-7-6-15(33-16-8-9-27-20(11-16)28-12-19(26)32)10-17(18)30-21(31)29-14-4-2-13(3-5-14)22(23,24)25/h2-11H,12H2,1H3,(H2,26,32)(H,27,28)(H,29,30).
What are the key properties of 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide?
2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide has a molecular weight of 456.43 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-methyl-2-[4-(trifluoromethyl)anilino]benzimidazol-5-yl]oxy-2-pyridinyl]amino]acetamide is sourced from PubChem (CID 69035653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).