2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine

C14H12N4O — CID 79820809

IUPAC2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3COc4ccccc43)nc2n1
InChIInChI=1S/C14H12N4O/c15-12-6-5-10-14(17-12)18-13(16-10)9-7-19-11-4-2-1-3-8(9)11/h1-6,9H,7H2,(H3,15,16,17,18)
InChIKeyVZSLPBYHMPFENO-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.06
Rot. Bonds1

About 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine

2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 79820809) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
PubChem CID79820809
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine
SMILESNc1ccc2[nH]c(C3COc4ccccc43)nc2n1
InChIInChI=1S/C14H12N4O/c15-12-6-5-10-14(17-12)18-13(16-10)9-7-19-11-4-2-1-3-8(9)11/h1-6,9H,7H2,(H3,15,16,17,18)
InChIKeyVZSLPBYHMPFENO-UHFFFAOYSA-N
XLogP2.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine (CID 79820809) is 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine is Nc1ccc2[nH]c(C3COc4ccccc43)nc2n1.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
The InChIKey is VZSLPBYHMPFENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c15-12-6-5-10-14(17-12)18-13(16-10)9-7-19-11-4-2-1-3-8(9)11/h1-6,9H,7H2,(H3,15,16,17,18).
What are the key properties of 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine?
2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 252.28 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-3-yl)-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 79820809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).