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

C28H25F3N6O — CID 67290513

IUPAC5-(piperidin-1-ylmethyl)-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(CN3CCCCC3)cccc2n1
InChIInChI=1S/C28H25F3N6O/c29-28(30,31)20-7-4-6-18(14-20)19-10-11-22-23(15-19)34-27(33-22)35-26(38)24-17-37-21(8-5-9-25(37)32-24)16-36-12-2-1-3-13-36/h4-11,14-15,17H,1-3,12-13,16H2,(H2,33,34,35,38)
InChIKeyNGPQTLRIHIXAOS-UHFFFAOYSA-N
MW518.54 g/mol
LogP6.13
Rot. Bonds5

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

5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 67290513) has the molecular formula C28H25F3N6O and a molecular weight of 518.54 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID67290513
Molecular FormulaC28H25F3N6O
Molecular Weight518.54 g/mol
Exact Mass518.20
IUPAC Name5-(piperidin-1-ylmethyl)-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(CN3CCCCC3)cccc2n1
InChIInChI=1S/C28H25F3N6O/c29-28(30,31)20-7-4-6-18(14-20)19-10-11-22-23(15-19)34-27(33-22)35-26(38)24-17-37-21(8-5-9-25(37)32-24)16-36-12-2-1-3-13-36/h4-11,14-15,17H,1-3,12-13,16H2,(H2,33,34,35,38)
InChIKeyNGPQTLRIHIXAOS-UHFFFAOYSA-N
XLogP6.13
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67290214
5-piperidin-4-yl-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67288941
7-[(dimethylamino)methyl]-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 67289458
N-[6-(3-fluorophenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67291380
5-chloro-N-[6-(3-chloro-5-fluorophenyl)-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87073863
N-[6-[2-hydroxy-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67289782
N-(6-cyclohexyl-1H-benzimidazol-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67290328
N-(2-pyrrolidin-1-ylethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 42690045
N-[6-(3-chloro-4-propan-2-yloxyphenyl)-1H-benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67290095
N-(1H-benzimidazol-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 9112400
N-[1-(2-methoxyethyl)-6-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 67288994
N-(3-methylbutyl)-3-[2-[[4-(trifluoromethyl)benzoyl]amino]-3H-benzimidazol-5-yl]benzamide
CID 168873259

Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide (CID 67290513) is 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-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(CN3CCCCC3)cccc2n1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NGPQTLRIHIXAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N6O/c29-28(30,31)20-7-4-6-18(14-20)19-10-11-22-23(15-19)34-27(33-22)35-26(38)24-17-37-21(8-5-9-25(37)32-24)16-36-12-2-1-3-13-36/h4-11,14-15,17H,1-3,12-13,16H2,(H2,33,34,35,38).
What are the key properties of 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide?
5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 6.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-N-[6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 67290513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).