N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen

C26H25F3N6O2 — CID 159099753

IUPACN-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(-c5ccncc5C(F)(F)F)c4)[nH]c3c2)ccn1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H19F3N6O2.3H2/c1-30-24(36)23-13-18(7-10-32-23)37-17-5-6-21-22(12-17)35-25(34-21)33-16-4-2-3-15(11-16)19-8-9-31-14-20(19)26(27,28)29;;;/h2-14H,1H3,(H,30,36)(H2,33,34,35);3*1H
InChIKeyKDDANEUXNWXJJS-UHFFFAOYSA-N
MW510.52 g/mol
LogP6.67
Rot. Bonds6

About N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen

N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen (PubChem CID 159099753) has the molecular formula C26H25F3N6O2 and a molecular weight of 510.52 g/mol. Its IUPAC name is N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
PubChem CID159099753
Molecular FormulaC26H25F3N6O2
Molecular Weight510.52 g/mol
Exact Mass510.20
IUPAC NameN-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(-c5ccncc5C(F)(F)F)c4)[nH]c3c2)ccn1.[H][H].[H][H].[H][H]
InChIInChI=1S/C26H19F3N6O2.3H2/c1-30-24(36)23-13-18(7-10-32-23)37-17-5-6-21-22(12-17)35-25(34-21)33-16-4-2-3-15(11-16)19-8-9-31-14-20(19)26(27,28)29;;;/h2-14H,1H3,(H,30,36)(H2,33,34,35);3*1H
InChIKeyKDDANEUXNWXJJS-UHFFFAOYSA-N
XLogP6.67
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.52
LogP ≤ 56.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-[4-chloro-3-(1,1-difluoroethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 142815596
4-[[2-(4-tert-butylanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 22040656
4-[[2-(2-fluoroanilino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037145
1-[4-[[2-[4-chloro-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-2-pyridinyl]ethanone
CID 118886684
4-[[2-[2-chloro-5-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 21037137
4-[2-[3-(3-chloro-4-pyridinyl)anilino]-1-methylbenzimidazol-5-yl]oxy-N-methylpyridine-2-carboxamide
CID 22041059
1-[4-[(2-anilino-3H-benzimidazol-5-yl)oxy]-2-pyridinyl]propan-1-one
CID 157132919
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
methyl 3-[[5-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzoate
CID 134459655
4-[[2-(cyclohexylmethylamino)-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 71019338
N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]oxamide
CID 11408487

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen?
The IUPAC name of N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen (CID 159099753) is N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen?
The canonical SMILES for N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen is CNC(=O)c1cc(Oc2ccc3nc(Nc4cccc(-c5ccncc5C(F)(F)F)c4)[nH]c3c2)ccn1.[H][H].[H][H].[H][H].
What is the InChIKey of N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen?
The InChIKey is KDDANEUXNWXJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F3N6O2.3H2/c1-30-24(36)23-13-18(7-10-32-23)37-17-5-6-21-22(12-17)35-25(34-21)33-16-4-2-3-15(11-16)19-8-9-31-14-20(19)26(27,28)29;;;/h2-14H,1H3,(H,30,36)(H2,33,34,35);3*1H.
What are the key properties of N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen?
N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen has a molecular weight of 510.52 g/mol, XLogP of 6.67, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[3-[3-(trifluoromethyl)-4-pyridinyl]anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159099753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).