N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine

C17H18N4O2 — CID 18095899

IUPACN-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCC(C)C(Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-12(2)15(13-8-4-3-5-9-13)19-16-17(21(22)23)20-11-7-6-10-14(20)18-16/h3-12,15,19H,1-2H3
InChIKeyWTIYLALCTGNYOU-UHFFFAOYSA-N
MW310.36 g/mol
LogP4.05
Rot. Bonds5

About N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine

N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine (PubChem CID 18095899) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound NameN-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
PubChem CID18095899
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine
SMILESCC(C)C(Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-12(2)15(13-8-4-3-5-9-13)19-16-17(21(22)23)20-11-7-6-10-14(20)18-16/h3-12,15,19H,1-2H3
InChIKeyWTIYLALCTGNYOU-UHFFFAOYSA-N
XLogP4.05
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 54.05
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-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The IUPAC name of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine (CID 18095899) is N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine is CC(C)C(Nc1nc2ccccn2c1[N+](=O)[O-])c1ccccc1.
What is the InChIKey of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
The InChIKey is WTIYLALCTGNYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-12(2)15(13-8-4-3-5-9-13)19-16-17(21(22)23)20-11-7-6-10-14(20)18-16/h3-12,15,19H,1-2H3.
What are the key properties of N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine?
N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine has a molecular weight of 310.36 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-phenylpropyl)-3-nitroimidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18095899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).