8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

C23H16F3N5O2 — CID 67290045

IUPAC8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2[nH]1)c1cn2cccc(CO)c2n1
InChIInChI=1S/C23H16F3N5O2/c24-23(25,26)16-5-1-3-13(9-16)14-6-7-17-18(10-14)29-22(28-17)30-21(33)19-11-31-8-2-4-15(12-32)20(31)27-19/h1-11,32H,12H2,(H2,28,29,30,33)
InChIKeyAGUKLLYNZAZUPC-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.64
Rot. Bonds4

About 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67290045) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67290045
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC Name8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(Nc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2[nH]1)c1cn2cccc(CO)c2n1
InChIInChI=1S/C23H16F3N5O2/c24-23(25,26)16-5-1-3-13(9-16)14-6-7-17-18(10-14)29-22(28-17)30-21(33)19-11-31-8-2-4-15(12-32)20(31)27-19/h1-11,32H,12H2,(H2,28,29,30,33)
InChIKeyAGUKLLYNZAZUPC-UHFFFAOYSA-N
XLogP4.64
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.41
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67290045) is 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(Nc1nc2ccc(-c3cccc(C(F)(F)F)c3)cc2[nH]1)c1cn2cccc(CO)c2n1.
What is the InChIKey of 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is AGUKLLYNZAZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c24-23(25,26)16-5-1-3-13(9-16)14-6-7-17-18(10-14)29-22(28-17)30-21(33)19-11-31-8-2-4-15(12-32)20(31)27-19/h1-11,32H,12H2,(H2,28,29,30,33).
What are the key properties of 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 451.41 g/mol, XLogP of 4.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67290045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).