4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide

C23H19ClF3N5O2 — CID 21037139

IUPAC4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cc(C(F)(F)F)ccc2Cl)n3C)ccn1
InChIInChI=1S/C23H19ClF3N5O2/c1-31(2)21(33)19-12-15(8-9-28-19)34-14-5-7-20-18(11-14)30-22(32(20)3)29-17-10-13(23(25,26)27)4-6-16(17)24/h4-12H,1-3H3,(H,29,30)
InChIKeyHTEHSYUDFCMBAL-UHFFFAOYSA-N
MW489.89 g/mol
LogP5.88
Rot. Bonds5

About 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide

4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (PubChem CID 21037139) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 489.89 g/mol. Its IUPAC name is 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
PubChem CID21037139
Molecular FormulaC23H19ClF3N5O2
Molecular Weight489.89 g/mol
Exact Mass489.12
IUPAC Name4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide
SMILESCN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cc(C(F)(F)F)ccc2Cl)n3C)ccn1
InChIInChI=1S/C23H19ClF3N5O2/c1-31(2)21(33)19-12-15(8-9-28-19)34-14-5-7-20-18(11-14)30-22(32(20)3)29-17-10-13(23(25,26)27)4-6-16(17)24/h4-12H,1-3H3,(H,29,30)
InChIKeyHTEHSYUDFCMBAL-UHFFFAOYSA-N
XLogP5.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.89
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-((2-((4-chloro-3-(trifluoromethyl)phenyl)amino)-3H-benzimidazol-5-yl)oxy)-N-methyl-pyridine-2-carboxamide
CID 11167118
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1-methyl-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11156649
4-{[2-({3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 11489166
4-{[2-({4-chloro-3-[(4-methylpiperazin-1-yl)methyl]phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}-N-methylpyridine-2-carboxamide
CID 17755116
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(trifluoromethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755117
N-methyl-4-({2-[(3-{[(2R)-1-methylpyrrolidin-2-yl]methoxy}-4-(1,1,2,2,2-pentafluoroethyl)phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 17755212
N-methyl-4-{[2-({3-[2-(pyrrolidin-1-yl)ethoxy]-5-(trifluoromethyl)phenyl}amino)-1H-1,3-benzodiazol-5-yl]oxy}pyridine-2-carboxamide
CID 17755213
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
N-methyl-4-[(2-{[4-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040627
4-({2-[(4-tert-butylphenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040656
4-({2-[(2-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040783
N-methyl-4-({2-[methyl(phenyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)pyridine-2-carboxamide
CID 22040802

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide (CID 21037139) is 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is CN(C)C(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cc(C(F)(F)F)ccc2Cl)n3C)ccn1.
What is the InChIKey of 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
The InChIKey is HTEHSYUDFCMBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c1-31(2)21(33)19-12-15(8-9-28-19)34-14-5-7-20-18(11-14)30-22(32(20)3)29-17-10-13(23(25,26)27)4-6-16(17)24/h4-12H,1-3H3,(H,29,30).
What are the key properties of 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide?
4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide has a molecular weight of 489.89 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-chloro-5-(trifluoromethyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N,N-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 21037139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).