2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C24H23F3N5O+ — CID 91131480

IUPAC2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCOc1nc(-c2cn3c(n2)C(c2ccccc2C(F)(F)F)CCC3)ccc1-[n+]1c[nH]c(C)c1
InChIInChI=1S/C24H22F3N5O/c1-15-12-32(14-28-15)21-10-9-19(30-23(21)33-2)20-13-31-11-5-7-17(22(31)29-20)16-6-3-4-8-18(16)24(25,26)27/h3-4,6,8-10,12-14,17H,5,7,11H2,1-2H3/p+1
InChIKeySGCYUMIOUYULOD-UHFFFAOYSA-O
MW454.48 g/mol
LogP4.81
Rot. Bonds4

About 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 91131480) has the molecular formula C24H23F3N5O+ and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID91131480
Molecular FormulaC24H23F3N5O+
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCOc1nc(-c2cn3c(n2)C(c2ccccc2C(F)(F)F)CCC3)ccc1-[n+]1c[nH]c(C)c1
InChIInChI=1S/C24H22F3N5O/c1-15-12-32(14-28-15)21-10-9-19(30-23(21)33-2)20-13-31-11-5-7-17(22(31)29-20)16-6-3-4-8-18(16)24(25,26)27/h3-4,6,8-10,12-14,17H,5,7,11H2,1-2H3/p+1
InChIKeySGCYUMIOUYULOD-UHFFFAOYSA-O
XLogP4.81
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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2-(4-(2-(2-methoxypyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-1-yl)-N-methylethanamine
CID 45487360
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CID 118057675
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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 91131480) is 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is COc1nc(-c2cn3c(n2)C(c2ccccc2C(F)(F)F)CCC3)ccc1-[n+]1c[nH]c(C)c1.
What is the InChIKey of 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is SGCYUMIOUYULOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H22F3N5O/c1-15-12-32(14-28-15)21-10-9-19(30-23(21)33-2)20-13-31-11-5-7-17(22(31)29-20)16-6-3-4-8-18(16)24(25,26)27/h3-4,6,8-10,12-14,17H,5,7,11H2,1-2H3/p+1.
What are the key properties of 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 454.48 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 91131480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).