N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide

C23H20F3N5O3 — CID 22040727

IUPACN-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(C(=O)NCCO)c3)ccc21
InChIInChI=1S/C23H20F3N5O3/c1-31-20-6-5-16(34-17-7-8-27-19(13-17)21(33)28-9-10-32)12-18(20)30-22(31)29-15-4-2-3-14(11-15)23(24,25)26/h2-8,11-13,32H,9-10H2,1H3,(H,28,33)(H,29,30)
InChIKeyQFMWLXKXZJGEPT-UHFFFAOYSA-N
MW471.44 g/mol
LogP4.25
Rot. Bonds7

About N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide

N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (PubChem CID 22040727) has the molecular formula C23H20F3N5O3 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
PubChem CID22040727
Molecular FormulaC23H20F3N5O3
Molecular Weight471.44 g/mol
Exact Mass471.15
IUPAC NameN-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide
SMILESCn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(C(=O)NCCO)c3)ccc21
InChIInChI=1S/C23H20F3N5O3/c1-31-20-6-5-16(34-17-7-8-27-19(13-17)21(33)28-9-10-32)12-18(20)30-22(31)29-15-4-2-3-14(11-15)23(24,25)26/h2-8,11-13,32H,9-10H2,1H3,(H,28,33)(H,29,30)
InChIKeyQFMWLXKXZJGEPT-UHFFFAOYSA-N
XLogP4.25
TPSA101.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide (CID 22040727) is N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is Cn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(C(=O)NCCO)c3)ccc21.
What is the InChIKey of N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
The InChIKey is QFMWLXKXZJGEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O3/c1-31-20-6-5-16(34-17-7-8-27-19(13-17)21(33)28-9-10-32)12-18(20)30-22(31)29-15-4-2-3-14(11-15)23(24,25)26/h2-8,11-13,32H,9-10H2,1H3,(H,28,33)(H,29,30).
What are the key properties of N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide?
N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 4.25, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-4-[1-methyl-2-[3-(trifluoromethyl)anilino]benzimidazol-5-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 22040727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).