N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide

C27H19BrN4O2 — CID 127042293

IUPACN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccccc4)cccn23)c1)c1ccc(Br)cc1
InChIInChI=1S/C27H19BrN4O2/c28-21-13-11-19(12-14-21)26(33)30-22-9-4-8-20(16-22)24-17-29-25-23(10-5-15-32(24)25)31-27(34)18-6-2-1-3-7-18/h1-17H,(H,30,33)(H,31,34)
InChIKeyCCXGDOWDRSZWBZ-UHFFFAOYSA-N
MW511.38 g/mol
LogP6.27
Rot. Bonds5

About N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide

N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide (PubChem CID 127042293) has the molecular formula C27H19BrN4O2 and a molecular weight of 511.38 g/mol. Its IUPAC name is N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide.

Molecular Properties

Compound NameN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide
PubChem CID127042293
Molecular FormulaC27H19BrN4O2
Molecular Weight511.38 g/mol
Exact Mass510.07
IUPAC NameN-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide
SMILESO=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccccc4)cccn23)c1)c1ccc(Br)cc1
InChIInChI=1S/C27H19BrN4O2/c28-21-13-11-19(12-14-21)26(33)30-22-9-4-8-20(16-22)24-17-29-25-23(10-5-15-32(24)25)31-27(34)18-6-2-1-3-7-18/h1-17H,(H,30,33)(H,31,34)
InChIKeyCCXGDOWDRSZWBZ-UHFFFAOYSA-N
XLogP6.27
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.38
LogP ≤ 56.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide?
The IUPAC name of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide (CID 127042293) is N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide.
What is the SMILES notation for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide?
The canonical SMILES for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide is O=C(Nc1cccc(-c2cnc3c(NC(=O)c4ccccc4)cccn23)c1)c1ccc(Br)cc1.
What is the InChIKey of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide?
The InChIKey is CCXGDOWDRSZWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19BrN4O2/c28-21-13-11-19(12-14-21)26(33)30-22-9-4-8-20(16-22)24-17-29-25-23(10-5-15-32(24)25)31-27(34)18-6-2-1-3-7-18/h1-17H,(H,30,33)(H,31,34).
What are the key properties of N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide?
N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide has a molecular weight of 511.38 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(8-benzamidoimidazo[1,2-a]pyridin-3-yl)phenyl]-4-bromobenzamide is sourced from PubChem (CID 127042293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).