N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C23H14ClF3N6O2 — CID 11634702

IUPACN-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-c4ncon4)cc3[nH]2)c1
InChIInChI=1S/C23H14ClF3N6O2/c1-11-14(4-7-19(29-11)23(25,26)27)22(34)30-13-3-5-16(24)15(9-13)21-31-17-6-2-12(8-18(17)32-21)20-28-10-35-33-20/h2-10H,1H3,(H,30,34)(H,31,32)
InChIKeyVHLADSUTYGHPPF-UHFFFAOYSA-N
MW498.85 g/mol
LogP5.91
Rot. Bonds4

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

N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11634702) has the molecular formula C23H14ClF3N6O2 and a molecular weight of 498.85 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11634702
Molecular FormulaC23H14ClF3N6O2
Molecular Weight498.85 g/mol
Exact Mass498.08
IUPAC NameN-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-c4ncon4)cc3[nH]2)c1
InChIInChI=1S/C23H14ClF3N6O2/c1-11-14(4-7-19(29-11)23(25,26)27)22(34)30-13-3-5-16(24)15(9-13)21-31-17-6-2-12(8-18(17)32-21)20-28-10-35-33-20/h2-10H,1H3,(H,30,34)(H,31,32)
InChIKeyVHLADSUTYGHPPF-UHFFFAOYSA-N
XLogP5.91
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.85
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11634702) is N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(-c4ncon4)cc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is VHLADSUTYGHPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N6O2/c1-11-14(4-7-19(29-11)23(25,26)27)22(34)30-13-3-5-16(24)15(9-13)21-31-17-6-2-12(8-18(17)32-21)20-28-10-35-33-20/h2-10H,1H3,(H,30,34)(H,31,32).
What are the key properties of N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 498.85 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-(1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11634702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).