N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline

C23H23N3 — CID 166067979

IUPACN,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
SMILESCc1ccc(-c2nc3ccccn3c2Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H23N3/c1-17-7-11-19(12-8-17)23-21(26-15-5-4-6-22(26)24-23)16-18-9-13-20(14-10-18)25(2)3/h4-15H,16H2,1-3H3
InChIKeyALGAIOIDXVSHIO-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.97
Rot. Bonds4

About N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline

N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline (PubChem CID 166067979) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
PubChem CID166067979
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline
SMILESCc1ccc(-c2nc3ccccn3c2Cc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H23N3/c1-17-7-11-19(12-8-17)23-21(26-15-5-4-6-22(26)24-23)16-18-9-13-20(14-10-18)25(2)3/h4-15H,16H2,1-3H3
InChIKeyALGAIOIDXVSHIO-UHFFFAOYSA-N
XLogP4.97
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(3-benzylimidazo[1,2-a]pyridin-2-yl)-N,N-dimethylaniline
CID 56600426
4-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N,N-dimethylaniline
CID 166067981
N,N,3-trimethyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 166067980
N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 166067984
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150
6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
CID 46904877
N-[[4-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118570
4-[[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline;toluene
CID 70469901
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 156789846
2-[4-(trifluoromethyl)phenyl]-3-[[2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]imidazo[1,2-a]pyridine
CID 132518642
2-(4-methylphenyl)-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2760437
methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884111

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline (CID 166067979) is N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline is Cc1ccc(-c2nc3ccccn3c2Cc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline?
The InChIKey is ALGAIOIDXVSHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-17-7-11-19(12-8-17)23-21(26-15-5-4-6-22(26)24-23)16-18-9-13-20(14-10-18)25(2)3/h4-15H,16H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline?
N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline has a molecular weight of 341.46 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]aniline is sourced from PubChem (CID 166067979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).