N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine

C15H12N4O3 — CID 56800330

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(NC2COc3ccccc32)nc2ccccn12
InChIInChI=1S/C15H12N4O3/c20-19(21)15-14(17-13-7-3-4-8-18(13)15)16-11-9-22-12-6-2-1-5-10(11)12/h1-8,11,16H,9H2
InChIKeySWMNAUWLFUYFAL-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.79
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine

N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 56800330) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID56800330
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(NC2COc3ccccc32)nc2ccccn12
InChIInChI=1S/C15H12N4O3/c20-19(21)15-14(17-13-7-3-4-8-18(13)15)16-11-9-22-12-6-2-1-5-10(11)12/h1-8,11,16H,9H2
InChIKeySWMNAUWLFUYFAL-UHFFFAOYSA-N
XLogP2.79
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 56800330) is N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine is O=[N+]([O-])c1c(NC2COc3ccccc32)nc2ccccn12.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is SWMNAUWLFUYFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c20-19(21)15-14(17-13-7-3-4-8-18(13)15)16-11-9-22-12-6-2-1-5-10(11)12/h1-8,11,16H,9H2.
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 296.29 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 56800330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).