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

C23H16F3N5O2 — CID 67289097

IUPAC5-(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)c1cn2c(CO)cccc2n1
InChIInChI=1S/C23H16F3N5O2/c24-23(25,26)15-4-1-3-13(9-15)14-7-8-17-18(10-14)29-22(28-17)30-21(33)19-11-31-16(12-32)5-2-6-20(31)27-19/h1-11,32H,12H2,(H2,28,29,30,33)
InChIKeyFVJQKUQIYUNTPC-UHFFFAOYSA-N
MW451.41 g/mol
LogP4.64
Rot. Bonds4

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

5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67289097) has the molecular formula C23H16F3N5O2 and a molecular weight of 451.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67289097
Molecular FormulaC23H16F3N5O2
Molecular Weight451.41 g/mol
Exact Mass451.13
IUPAC Name5-(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)c1cn2c(CO)cccc2n1
InChIInChI=1S/C23H16F3N5O2/c24-23(25,26)15-4-1-3-13(9-15)14-7-8-17-18(10-14)29-22(28-17)30-21(33)19-11-31-16(12-32)5-2-6-20(31)27-19/h1-11,32H,12H2,(H2,28,29,30,33)
InChIKeyFVJQKUQIYUNTPC-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 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67289097) is 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 5-(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)c1cn2c(CO)cccc2n1.
What is the InChIKey of 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is FVJQKUQIYUNTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N5O2/c24-23(25,26)15-4-1-3-13(9-15)14-7-8-17-18(10-14)29-22(28-17)30-21(33)19-11-31-16(12-32)5-2-6-20(31)27-19/h1-11,32H,12H2,(H2,28,29,30,33).
What are the key properties of 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
5-(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 5-(hydroxymethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67289097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).