N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide

C22H16F3N5O3 — CID 11248037

IUPACN-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)c2)ccn1
InChIInChI=1S/C22H16F3N5O3/c1-26-20(32)18-11-15(7-8-27-18)33-14-4-2-3-12(9-14)19(31)30-21-28-16-6-5-13(22(23,24)25)10-17(16)29-21/h2-11H,1H3,(H,26,32)(H2,28,29,30,31)
InChIKeyBJYZGYPPIYBJEF-UHFFFAOYSA-N
MW455.40 g/mol
LogP4.38
Rot. Bonds5

About N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide

N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide (PubChem CID 11248037) has the molecular formula C22H16F3N5O3 and a molecular weight of 455.40 g/mol. Its IUPAC name is N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide
PubChem CID11248037
Molecular FormulaC22H16F3N5O3
Molecular Weight455.40 g/mol
Exact Mass455.12
IUPAC NameN-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(C(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)c2)ccn1
InChIInChI=1S/C22H16F3N5O3/c1-26-20(32)18-11-15(7-8-27-18)33-14-4-2-3-12(9-14)19(31)30-21-28-16-6-5-13(22(23,24)25)10-17(16)29-21/h2-11H,1H3,(H,26,32)(H2,28,29,30,31)
InChIKeyBJYZGYPPIYBJEF-UHFFFAOYSA-N
XLogP4.38
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.40
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide (CID 11248037) is N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(C(=O)Nc3nc4ccc(C(F)(F)F)cc4[nH]3)c2)ccn1.
What is the InChIKey of N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide?
The InChIKey is BJYZGYPPIYBJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O3/c1-26-20(32)18-11-15(7-8-27-18)33-14-4-2-3-12(9-14)19(31)30-21-28-16-6-5-13(22(23,24)25)10-17(16)29-21/h2-11H,1H3,(H,26,32)(H2,28,29,30,31).
What are the key properties of N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide has a molecular weight of 455.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]carbamoyl]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 11248037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).