N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide

C23H18F3N3O — CID 42694075

IUPACN-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H18F3N3O/c1-14-6-8-16(9-7-14)20-21(29-11-10-15(2)12-19(29)27-20)28-22(30)17-4-3-5-18(13-17)23(24,25)26/h3-13H,1-2H3,(H,28,30)
InChIKeyXOJPJKQSPAEYNO-UHFFFAOYSA-N
MW409.41 g/mol
LogP5.89
Rot. Bonds3

About N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide

N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 42694075) has the molecular formula C23H18F3N3O and a molecular weight of 409.41 g/mol. Its IUPAC name is N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID42694075
Molecular FormulaC23H18F3N3O
Molecular Weight409.41 g/mol
Exact Mass409.14
IUPAC NameN-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C23H18F3N3O/c1-14-6-8-16(9-7-14)20-21(29-11-10-15(2)12-19(29)27-20)28-22(30)17-4-3-5-18(13-17)23(24,25)26/h3-13H,1-2H3,(H,28,30)
InChIKeyXOJPJKQSPAEYNO-UHFFFAOYSA-N
XLogP5.89
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.41
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 42694362
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-nitrobenzamide
CID 42694070
3-methoxy-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
CID 4226621
3-bromo-N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)benzamide
CID 2887934
1-[2-(3,5-dimethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42694876
(2S)-2-chloro-N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 93016859
N-(7-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)pyridine-2-carboxamide
CID 17417375
N-[7-methyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42881744
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]cyclopropanecarboxamide
CID 42694105
ethyl N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]carbamate
CID 23938620
4-fluoro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694194
3,5-dichloro-N-[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
CID 42694201

Frequently Asked Questions

What is the IUPAC name of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide (CID 42694075) is N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide is Cc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is XOJPJKQSPAEYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N3O/c1-14-6-8-16(9-7-14)20-21(29-11-10-15(2)12-19(29)27-20)28-22(30)17-4-3-5-18(13-17)23(24,25)26/h3-13H,1-2H3,(H,28,30).
What are the key properties of N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide?
N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 409.41 g/mol, XLogP of 5.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 42694075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).