4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline

C19H24N4 — CID 92858211

IUPAC4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCCCCN(C)Cc1c(-c2ccc(N)cc2)nc2ccccn12
InChIInChI=1S/C19H24N4/c1-3-4-12-22(2)14-17-19(15-8-10-16(20)11-9-15)21-18-7-5-6-13-23(17)18/h5-11,13H,3-4,12,14,20H2,1-2H3
InChIKeyBLMKGNGPBNLUQM-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.82
Rot. Bonds6

About 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline

4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 92858211) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID92858211
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline
SMILESCCCCN(C)Cc1c(-c2ccc(N)cc2)nc2ccccn12
InChIInChI=1S/C19H24N4/c1-3-4-12-22(2)14-17-19(15-8-10-16(20)11-9-15)21-18-7-5-6-13-23(17)18/h5-11,13H,3-4,12,14,20H2,1-2H3
InChIKeyBLMKGNGPBNLUQM-UHFFFAOYSA-N
XLogP3.82
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121631
N-methyl-N-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]butan-1-amine
CID 3916899
2-[[6-amino-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl-methylamino]ethanol
CID 93206085
3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 39120445
N-methyl-N-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]butan-1-amine
CID 3913312
2-(2-methoxyphenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 55868062
N-methyl-N-pentyl-4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]aniline
CID 166067984
2-(4-chlorophenoxy)-N-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]ethanamine
CID 18279274
3-[[benzyl(methyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-6-amine
CID 39130256
6-amino-1-butyl-5-[ethyl-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]amino]pyrimidine-2,4-dione
CID 78834984
[2-[butyl(methyl)amino]imidazo[1,2-a]pyridin-3-yl]methanol
CID 43478072
3-(chloromethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 39126150

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline (CID 92858211) is 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline is CCCCN(C)Cc1c(-c2ccc(N)cc2)nc2ccccn12.
What is the InChIKey of 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is BLMKGNGPBNLUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-3-4-12-22(2)14-17-19(15-8-10-16(20)11-9-15)21-18-7-5-6-13-23(17)18/h5-11,13H,3-4,12,14,20H2,1-2H3.
What are the key properties of 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline?
4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 308.43 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[butyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 92858211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).