N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

C23H16F3N5O2 — CID 67289782

IUPACN-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5O)cc4[nH]3)cn12
InChIInChI=1S/C23H16F3N5O2/c1-12-4-2-7-19-27-18(11-31(12)19)21(33)30-22-28-16-9-8-13(10-17(16)29-22)14-5-3-6-15(20(14)32)23(24,25)26/h2-11,32H,1H3,(H2,28,29,30,33)
InChIKeyQKMBBDAGDMJGEV-UHFFFAOYSA-N
MW451.41 g/mol
LogP5.16
Rot. Bonds3

About N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67289782) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67289782
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC NameN-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5O)cc4[nH]3)cn12
InChIInChI=1S/C23H16F3N5O2/c1-12-4-2-7-19-27-18(11-31(12)19)21(33)30-22-28-16-9-8-13(10-17(16)29-22)14-5-3-6-15(20(14)32)23(24,25)26/h2-11,32H,1H3,(H2,28,29,30,33)
InChIKeyQKMBBDAGDMJGEV-UHFFFAOYSA-N
XLogP5.16
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.41
LogP ≤ 55.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 67289782) is N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is Cc1cccc2nc(C(=O)Nc3nc4ccc(-c5cccc(C(F)(F)F)c5O)cc4[nH]3)cn12.
What is the InChIKey of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is QKMBBDAGDMJGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c1-12-4-2-7-19-27-18(11-31(12)19)21(33)30-22-28-16-9-8-13(10-17(16)29-22)14-5-3-6-15(20(14)32)23(24,25)26/h2-11,32H,1H3,(H2,28,29,30,33).
What are the key properties of N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 451.41 g/mol, XLogP of 5.16, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67289782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).