3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid

C19H18N4O3 — CID 56683633

IUPAC3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid
SMILESCc1cccc2ncc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)n12
InChIInChI=1S/C19H18N4O3/c1-13-5-4-8-17-20-11-14(23(13)17)12-22-16-7-3-2-6-15(16)21(19(22)26)10-9-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,24,25)
InChIKeyHKSFJWVONYBSCN-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.28
Rot. Bonds5

About 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid

3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid (PubChem CID 56683633) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid
PubChem CID56683633
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid
SMILESCc1cccc2ncc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)n12
InChIInChI=1S/C19H18N4O3/c1-13-5-4-8-17-20-11-14(23(13)17)12-22-16-7-3-2-6-15(16)21(19(22)26)10-9-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,24,25)
InChIKeyHKSFJWVONYBSCN-UHFFFAOYSA-N
XLogP2.28
TPSA81.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid?
The IUPAC name of 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid (CID 56683633) is 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid?
The canonical SMILES for 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid is Cc1cccc2ncc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)n12.
What is the InChIKey of 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid?
The InChIKey is HKSFJWVONYBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-5-4-8-17-20-11-14(23(13)17)12-22-16-7-3-2-6-15(16)21(19(22)26)10-9-18(24)25/h2-8,11H,9-10,12H2,1H3,(H,24,25).
What are the key properties of 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid?
3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid has a molecular weight of 350.38 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(5-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-oxobenzimidazol-1-yl]propanoic acid is sourced from PubChem (CID 56683633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).