2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid

C22H17N3O3 — CID 10340524

IUPAC2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)cn2c1
InChIInChI=1S/C22H17N3O3/c1-14-6-11-20-24-19(13-25(20)12-14)15-7-9-16(10-8-15)23-21(26)17-4-2-3-5-18(17)22(27)28/h2-13H,1H3,(H,23,26)(H,27,28)
InChIKeyDEQMSMTUSGDCRS-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.26
Rot. Bonds4

About 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid

2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid (PubChem CID 10340524) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid
PubChem CID10340524
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid
SMILESCc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)cn2c1
InChIInChI=1S/C22H17N3O3/c1-14-6-11-20-24-19(13-25(20)12-14)15-7-9-16(10-8-15)23-21(26)17-4-2-3-5-18(17)22(27)28/h2-13H,1H3,(H,23,26)(H,27,28)
InChIKeyDEQMSMTUSGDCRS-UHFFFAOYSA-N
XLogP4.26
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid (CID 10340524) is 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid is Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4C(=O)O)cc3)cn2c1.
What is the InChIKey of 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid?
The InChIKey is DEQMSMTUSGDCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-14-6-11-20-24-19(13-25(20)12-14)15-7-9-16(10-8-15)23-21(26)17-4-2-3-5-18(17)22(27)28/h2-13H,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid?
2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid has a molecular weight of 371.40 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-methylimidazo[1,2-a]pyridin-2-yl)phenyl]carbamoyl]benzoic acid is sourced from PubChem (CID 10340524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).