3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C26H20F3N5O — CID 67891345

IUPAC3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cn3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2ccccn12
InChIInChI=1S/C26H20F3N5O/c1-17-5-6-19(12-22(17)23-14-31-24-4-2-3-8-34(23)24)25(35)32-21-11-18(15-33-9-7-30-16-33)10-20(13-21)26(27,28)29/h2-14,16H,15H2,1H3,(H,32,35)
InChIKeyKFZPXHPWFXTTSK-UHFFFAOYSA-N
MW475.47 g/mol
LogP5.83
Rot. Bonds5

About 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide

3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 67891345) has the molecular formula C26H20F3N5O and a molecular weight of 475.47 g/mol. Its IUPAC name is 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID67891345
Molecular FormulaC26H20F3N5O
Molecular Weight475.47 g/mol
Exact Mass475.16
IUPAC Name3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(Cn3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2ccccn12
InChIInChI=1S/C26H20F3N5O/c1-17-5-6-19(12-22(17)23-14-31-24-4-2-3-8-34(23)24)25(35)32-21-11-18(15-33-9-7-30-16-33)10-20(13-21)26(27,28)29/h2-14,16H,15H2,1H3,(H,32,35)
InChIKeyKFZPXHPWFXTTSK-UHFFFAOYSA-N
XLogP5.83
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.47
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 67891345) is 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(Cn3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2ccccn12.
What is the InChIKey of 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is KFZPXHPWFXTTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N5O/c1-17-5-6-19(12-22(17)23-14-31-24-4-2-3-8-34(23)24)25(35)32-21-11-18(15-33-9-7-30-16-33)10-20(13-21)26(27,28)29/h2-14,16H,15H2,1H3,(H,32,35).
What are the key properties of 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 475.47 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazo[1,2-a]pyridin-3-yl-N-[3-(imidazol-1-ylmethyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 67891345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).