N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

C27H22N4O3 — CID 42738330

IUPACN-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2nc3c(OCc4ccccc4)cccn3c2NCc2ccccc2)cc1
InChIInChI=1S/C27H22N4O3/c32-31(33)23-15-13-22(14-16-23)25-27(28-18-20-8-3-1-4-9-20)30-17-7-12-24(26(30)29-25)34-19-21-10-5-2-6-11-21/h1-17,28H,18-19H2
InChIKeyUSXLQLKTGANJLS-UHFFFAOYSA-N
MW450.50 g/mol
LogP6.10
Rot. Bonds8

About N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine

N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (PubChem CID 42738330) has the molecular formula C27H22N4O3 and a molecular weight of 450.50 g/mol. Its IUPAC name is N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
PubChem CID42738330
Molecular FormulaC27H22N4O3
Molecular Weight450.50 g/mol
Exact Mass450.17
IUPAC NameN-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
SMILESO=[N+]([O-])c1ccc(-c2nc3c(OCc4ccccc4)cccn3c2NCc2ccccc2)cc1
InChIInChI=1S/C27H22N4O3/c32-31(33)23-15-13-22(14-16-23)25-27(28-18-20-8-3-1-4-9-20)30-17-7-12-24(26(30)29-25)34-19-21-10-5-2-6-11-21/h1-17,28H,18-19H2
InChIKeyUSXLQLKTGANJLS-UHFFFAOYSA-N
XLogP6.10
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.50
LogP ≤ 56.10
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'}

Analyze N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-2-(3-methylphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 3619073
ethyl 2-[(2-phenyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetate
CID 42738205
3-bromo-2-(4-methoxyphenyl)-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 101390623
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 4-nitrobenzenesulfonate
CID 4000156
N-benzyl-5-methyl-4-(4-nitrophenyl)pyrimidin-2-amine
CID 172560950
[2-[3-(benzylamino)-8-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 2-phenylmethoxyacetate
CID 3997505
N-tert-butyl-2-(2-fluorophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 4644219
N-(2,6-dimethylphenyl)-8-phenylmethoxy-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 5241001
N-[[2-[(4-nitrophenyl)methoxy]phenyl]methyl]aniline
CID 126118215
N-tert-butyl-2-(2-phenylethyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine
CID 4031858
N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952842
2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
CID 22591926

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine (CID 42738330) is N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is O=[N+]([O-])c1ccc(-c2nc3c(OCc4ccccc4)cccn3c2NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
The InChIKey is USXLQLKTGANJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O3/c32-31(33)23-15-13-22(14-16-23)25-27(28-18-20-8-3-1-4-9-20)30-17-7-12-24(26(30)29-25)34-19-21-10-5-2-6-11-21/h1-17,28H,18-19H2.
What are the key properties of N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine has a molecular weight of 450.50 g/mol, XLogP of 6.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-nitrophenyl)-8-phenylmethoxyimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).