5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide

C22H17BrClN3O2 — CID 3588217

IUPAC5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C22H17BrClN3O2/c1-13-9-10-27-19(11-13)25-20(14-3-6-16(29-2)7-4-14)21(27)26-22(28)17-12-15(23)5-8-18(17)24/h3-12H,1-2H3,(H,26,28)
InChIKeyHWLYAKUDIKPEFR-UHFFFAOYSA-N
MW470.75 g/mol
LogP5.99
Rot. Bonds4

About 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide

5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 3588217) has the molecular formula C22H17BrClN3O2 and a molecular weight of 470.75 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID3588217
Molecular FormulaC22H17BrClN3O2
Molecular Weight470.75 g/mol
Exact Mass469.02
IUPAC Name5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCOc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C22H17BrClN3O2/c1-13-9-10-27-19(11-13)25-20(14-3-6-16(29-2)7-4-14)21(27)26-22(28)17-12-15(23)5-8-18(17)24/h3-12H,1-2H3,(H,26,28)
InChIKeyHWLYAKUDIKPEFR-UHFFFAOYSA-N
XLogP5.99
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.75
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide (CID 3588217) is 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide is COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is HWLYAKUDIKPEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrClN3O2/c1-13-9-10-27-19(11-13)25-20(14-3-6-16(29-2)7-4-14)21(27)26-22(28)17-12-15(23)5-8-18(17)24/h3-12H,1-2H3,(H,26,28).
What are the key properties of 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide?
5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 470.75 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(4-methoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 3588217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).