N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

C21H16ClN3O2S — CID 171933601

IUPACN-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O2S/c1-28(26,27)18-11-5-15(6-12-18)21-19(25-13-3-2-4-20(25)24-21)14-23-17-9-7-16(22)8-10-17/h2-14H,1H3/b23-14+
InChIKeyJTFLPVBHHIBVBM-OEAKJJBVSA-N
MW409.90 g/mol
LogP4.81
Rot. Bonds4

About N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine

N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (PubChem CID 171933601) has the molecular formula C21H16ClN3O2S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
PubChem CID171933601
Molecular FormulaC21H16ClN3O2S
Molecular Weight409.90 g/mol
Exact Mass409.07
IUPAC NameN-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine
SMILESCS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H16ClN3O2S/c1-28(26,27)18-11-5-15(6-12-18)21-19(25-13-3-2-4-20(25)24-21)14-23-17-9-7-16(22)8-10-17/h2-14H,1H3/b23-14+
InChIKeyJTFLPVBHHIBVBM-OEAKJJBVSA-N
XLogP4.81
TPSA63.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-3-phenylthiourea
CID 171933585
N-[(E)-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 171933659
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222300
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-methylbenzenesulfonamide
CID 102360690
3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 70024217
2-anilino-3-[(4-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159741
N-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713581
(E)-3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3-fluorophenyl)prop-2-en-1-one
CID 56965295
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796
3-(4-bromophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine
CID 155255091
1-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridine-3-carboxylic acid
CID 171922177
1-[[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylideneamino]cyclopropane-1-carboxylate
CID 138111535

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The IUPAC name of N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine (CID 171933601) is N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine.
What is the SMILES notation for N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The canonical SMILES for N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is CS(=O)(=O)c1ccc(-c2nc3ccccn3c2/C=N/c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
The InChIKey is JTFLPVBHHIBVBM-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H16ClN3O2S/c1-28(26,27)18-11-5-15(6-12-18)21-19(25-13-3-2-4-20(25)24-21)14-23-17-9-7-16(22)8-10-17/h2-14H,1H3/b23-14+.
What are the key properties of N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine?
N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine has a molecular weight of 409.90 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-[2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-yl]methanimine is sourced from PubChem (CID 171933601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).