5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide

C19H18ClF3N6O — CID 10410905

IUPAC5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C19H18ClF3N6O/c1-24-17(30)11-8-13(20)16(25-10-11)28-4-6-29(7-5-28)18-26-14-3-2-12(19(21,22)23)9-15(14)27-18/h2-3,8-10H,4-7H2,1H3,(H,24,30)(H,26,27)
InChIKeyQGXMBSXNWDTFRF-UHFFFAOYSA-N
MW438.84 g/mol
LogP3.32
Rot. Bonds3

About 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide

5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 10410905) has the molecular formula C19H18ClF3N6O and a molecular weight of 438.84 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide
PubChem CID10410905
Molecular FormulaC19H18ClF3N6O
Molecular Weight438.84 g/mol
Exact Mass438.12
IUPAC Name5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C19H18ClF3N6O/c1-24-17(30)11-8-13(20)16(25-10-11)28-4-6-29(7-5-28)18-26-14-3-2-12(19(21,22)23)9-15(14)27-18/h2-3,8-10H,4-7H2,1H3,(H,24,30)(H,26,27)
InChIKeyQGXMBSXNWDTFRF-UHFFFAOYSA-N
XLogP3.32
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.84
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide (CID 10410905) is 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide is CNC(=O)c1cnc(N2CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is QGXMBSXNWDTFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N6O/c1-24-17(30)11-8-13(20)16(25-10-11)28-4-6-29(7-5-28)18-26-14-3-2-12(19(21,22)23)9-15(14)27-18/h2-3,8-10H,4-7H2,1H3,(H,24,30)(H,26,27).
What are the key properties of 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide?
5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 438.84 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10410905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).