N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

C24H21F3N4O — CID 45267561

IUPACN-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C24H21F3N4O/c1-30(2)13-21-15-31-14-20(11-12-22(31)28-21)29-23(32)18-5-3-16(4-6-18)17-7-9-19(10-8-17)24(25,26)27/h3-12,14-15H,13H2,1-2H3,(H,29,32)
InChIKeyGNHFCYDJPFQHDJ-UHFFFAOYSA-N
MW438.45 g/mol
LogP5.33
Rot. Bonds5

About N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide

N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 45267561) has the molecular formula C24H21F3N4O and a molecular weight of 438.45 g/mol. Its IUPAC name is N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID45267561
Molecular FormulaC24H21F3N4O
Molecular Weight438.45 g/mol
Exact Mass438.17
IUPAC NameN-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
SMILESCN(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1
InChIInChI=1S/C24H21F3N4O/c1-30(2)13-21-15-31-14-20(11-12-22(31)28-21)29-23(32)18-5-3-16(4-6-18)17-7-9-19(10-8-17)24(25,26)27/h3-12,14-15H,13H2,1-2H3,(H,29,32)
InChIKeyGNHFCYDJPFQHDJ-UHFFFAOYSA-N
XLogP5.33
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.45
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide (CID 45267561) is N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is CN(C)Cc1cn2cc(NC(=O)c3ccc(-c4ccc(C(F)(F)F)cc4)cc3)ccc2n1.
What is the InChIKey of N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is GNHFCYDJPFQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O/c1-30(2)13-21-15-31-14-20(11-12-22(31)28-21)29-23(32)18-5-3-16(4-6-18)17-7-9-19(10-8-17)24(25,26)27/h3-12,14-15H,13H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide?
N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 438.45 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 45267561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).