3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C30H22Cl2F3N3O — CID 83278541

IUPAC3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H22Cl2F3N3O/c31-23-11-8-20(9-12-23)29-26(13-15-28(39)36-17-19-4-3-5-22(16-19)30(33,34)35)38-18-21(10-14-27(38)37-29)24-6-1-2-7-25(24)32/h1-12,14,16,18H,13,15,17H2,(H,36,39)
InChIKeyXGKVMLCNAPTYCN-UHFFFAOYSA-N
MW568.43 g/mol
LogP8.24
Rot. Bonds7

About 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 83278541) has the molecular formula C30H22Cl2F3N3O and a molecular weight of 568.43 g/mol. Its IUPAC name is 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID83278541
Molecular FormulaC30H22Cl2F3N3O
Molecular Weight568.43 g/mol
Exact Mass567.11
IUPAC Name3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C30H22Cl2F3N3O/c31-23-11-8-20(9-12-23)29-26(13-15-28(39)36-17-19-4-3-5-22(16-19)30(33,34)35)38-18-21(10-14-27(38)37-29)24-6-1-2-7-25(24)32/h1-12,14,16,18H,13,15,17H2,(H,36,39)
InChIKeyXGKVMLCNAPTYCN-UHFFFAOYSA-N
XLogP8.24
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.43
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 83278541) is 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is XGKVMLCNAPTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2F3N3O/c31-23-11-8-20(9-12-23)29-26(13-15-28(39)36-17-19-4-3-5-22(16-19)30(33,34)35)38-18-21(10-14-27(38)37-29)24-6-1-2-7-25(24)32/h1-12,14,16,18H,13,15,17H2,(H,36,39).
What are the key properties of 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 568.43 g/mol, XLogP of 8.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 83278541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).