N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine

C14H12N4O2 — CID 11637563

IUPACN-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2)nc2ccccn12
InChIInChI=1S/C14H12N4O2/c19-18(20)14-13(15-10-11-6-2-1-3-7-11)16-12-8-4-5-9-17(12)14/h1-9,15H,10H2
InChIKeyURPOLCHGBLSZFC-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.85
Rot. Bonds4

About N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine

N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 11637563) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID11637563
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESO=[N+]([O-])c1c(NCc2ccccc2)nc2ccccn12
InChIInChI=1S/C14H12N4O2/c19-18(20)14-13(15-10-11-6-2-1-3-7-11)16-12-8-4-5-9-17(12)14/h1-9,15H,10H2
InChIKeyURPOLCHGBLSZFC-UHFFFAOYSA-N
XLogP2.85
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 11637563) is N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine is O=[N+]([O-])c1c(NCc2ccccc2)nc2ccccn12.
What is the InChIKey of N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is URPOLCHGBLSZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c19-18(20)14-13(15-10-11-6-2-1-3-7-11)16-12-8-4-5-9-17(12)14/h1-9,15H,10H2.
What are the key properties of N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 268.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 11637563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).