3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine

C17H16ClN3O2 — CID 143410085

IUPAC3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine
SMILESCCCc1ccc(-c2nc3ccccn3c2CCl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O2/c1-2-5-12-7-8-13(14(10-12)21(22)23)17-15(11-18)20-9-4-3-6-16(20)19-17/h3-4,6-10H,2,5,11H2,1H3
InChIKeyBDBTUPAXWADWQD-UHFFFAOYSA-N
MW329.79 g/mol
LogP4.60
Rot. Bonds5

About 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine

3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine (PubChem CID 143410085) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine
PubChem CID143410085
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine
SMILESCCCc1ccc(-c2nc3ccccn3c2CCl)c([N+](=O)[O-])c1
InChIInChI=1S/C17H16ClN3O2/c1-2-5-12-7-8-13(14(10-12)21(22)23)17-15(11-18)20-9-4-3-6-16(20)19-17/h3-4,6-10H,2,5,11H2,1H3
InChIKeyBDBTUPAXWADWQD-UHFFFAOYSA-N
XLogP4.60
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine
CID 82029732
2-(4-bromo-2-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
CID 114385734
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
3-(chloromethyl)-2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 39132917
3-(chloromethyl)-2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridine
CID 39132933
2-(4-butyl-2-nitrophenyl)furan
CID 168524592
4-butyl-1-(4-butylphenyl)-2-nitrobenzene
CID 126671898
3-nitro-1-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]pyridin-4-one
CID 75379816
2-(2-ethylphenyl)-3-(2-methylpropyl)imidazo[1,2-a]pyridine
CID 130393823
2-(4-propylphenoxy)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 62548393
3-(chloromethyl)-N,N-dimethylimidazo[1,2-a]pyridin-2-amine
CID 43478139
[2-(2-nitrophenyl)sulfanylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 63807650

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine (CID 143410085) is 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine is CCCc1ccc(-c2nc3ccccn3c2CCl)c([N+](=O)[O-])c1.
What is the InChIKey of 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is BDBTUPAXWADWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-2-5-12-7-8-13(14(10-12)21(22)23)17-15(11-18)20-9-4-3-6-16(20)19-17/h3-4,6-10H,2,5,11H2,1H3.
What are the key properties of 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine?
3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 329.79 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(2-nitro-4-propylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 143410085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).