2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid

C21H15N3O3 — CID 2888515

IUPAC2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C21H15N3O3/c25-20(15-10-4-5-11-16(15)21(26)27)23-19-18(14-8-2-1-3-9-14)22-17-12-6-7-13-24(17)19/h1-13H,(H,23,25)(H,26,27)
InChIKeyBCXKIFJJJGSVDX-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.95
Rot. Bonds4

About 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid

2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid (PubChem CID 2888515) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid
PubChem CID2888515
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC Name2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12
InChIInChI=1S/C21H15N3O3/c25-20(15-10-4-5-11-16(15)21(26)27)23-19-18(14-8-2-1-3-9-14)22-17-12-6-7-13-24(17)19/h1-13H,(H,23,25)(H,26,27)
InChIKeyBCXKIFJJJGSVDX-UHFFFAOYSA-N
XLogP3.95
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid (CID 2888515) is 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)Nc1c(-c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid?
The InChIKey is BCXKIFJJJGSVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3/c25-20(15-10-4-5-11-16(15)21(26)27)23-19-18(14-8-2-1-3-9-14)22-17-12-6-7-13-24(17)19/h1-13H,(H,23,25)(H,26,27).
What are the key properties of 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid?
2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid has a molecular weight of 357.37 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenylimidazo[1,2-a]pyridin-3-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 2888515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).