4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline

C16H18N4 — CID 43458276

IUPAC4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1cn2ccccc2n1
InChIInChI=1S/C16H18N4/c1-19(10-13-5-7-14(17)8-6-13)11-15-12-20-9-3-2-4-16(20)18-15/h2-9,12H,10-11,17H2,1H3
InChIKeyDXVXHXVWDBBPED-UHFFFAOYSA-N
MW266.35 g/mol
LogP2.55
Rot. Bonds4

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

4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline (PubChem CID 43458276) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline.

Molecular Properties

Compound Name4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline
PubChem CID43458276
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC Name4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline
SMILESCN(Cc1ccc(N)cc1)Cc1cn2ccccc2n1
InChIInChI=1S/C16H18N4/c1-19(10-13-5-7-14(17)8-6-13)11-15-12-20-9-3-2-4-16(20)18-15/h2-9,12H,10-11,17H2,1H3
InChIKeyDXVXHXVWDBBPED-UHFFFAOYSA-N
XLogP2.55
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 43248734
[2-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]phenyl]methanamine
CID 60922596
N-ethyl-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 4701920
3-(aminomethyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylaniline
CID 62970661
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]-2-methylpropanethioamide
CID 54992223
3-[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]propanimidamide
CID 43186266
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516
4-chloro-2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N-methylbenzene-1,2-diamine
CID 107466224
4-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43458236
2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine
CID 59380864
2-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009772
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513

Frequently Asked Questions

What is the IUPAC name of 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline?
The IUPAC name of 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline (CID 43458276) is 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline.
What is the SMILES notation for 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline?
The canonical SMILES for 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline is CN(Cc1ccc(N)cc1)Cc1cn2ccccc2n1.
What is the InChIKey of 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline?
The InChIKey is DXVXHXVWDBBPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-19(10-13-5-7-14(17)8-6-13)11-15-12-20-9-3-2-4-16(20)18-15/h2-9,12H,10-11,17H2,1H3.
What are the key properties of 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline?
4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline has a molecular weight of 266.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[imidazo[1,2-a]pyridin-2-ylmethyl(methyl)amino]methyl]aniline is sourced from PubChem (CID 43458276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).