N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

C21H16BrN3O2 — CID 18096051

IUPACN-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1OCc1cn2ccccc2n1
InChIInChI=1S/C21H16BrN3O2/c22-15-6-5-7-16(12-15)24-21(26)18-8-1-2-9-19(18)27-14-17-13-25-11-4-3-10-20(25)23-17/h1-13H,14H2,(H,24,26)
InChIKeyAKJWFCIZXXOYJH-UHFFFAOYSA-N
MW422.28 g/mol
LogP4.93
Rot. Bonds5

About N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide

N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (PubChem CID 18096051) has the molecular formula C21H16BrN3O2 and a molecular weight of 422.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
PubChem CID18096051
Molecular FormulaC21H16BrN3O2
Molecular Weight422.28 g/mol
Exact Mass421.04
IUPAC NameN-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccccc1OCc1cn2ccccc2n1
InChIInChI=1S/C21H16BrN3O2/c22-15-6-5-7-16(12-15)24-21(26)18-8-1-2-9-19(18)27-14-17-13-25-11-4-3-10-20(25)23-17/h1-13H,14H2,(H,24,26)
InChIKeyAKJWFCIZXXOYJH-UHFFFAOYSA-N
XLogP4.93
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.28
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide (CID 18096051) is N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is O=C(Nc1cccc(Br)c1)c1ccccc1OCc1cn2ccccc2n1.
What is the InChIKey of N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
The InChIKey is AKJWFCIZXXOYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN3O2/c22-15-6-5-7-16(12-15)24-21(26)18-8-1-2-9-19(18)27-14-17-13-25-11-4-3-10-20(25)23-17/h1-13H,14H2,(H,24,26).
What are the key properties of N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide?
N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide has a molecular weight of 422.28 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 18096051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).