3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine

C20H18N4 — CID 143464892

IUPAC3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine
SMILESCc1ccc(-c2cnc3c(Nc4cccc(N)c4)cccn23)cc1
InChIInChI=1S/C20H18N4/c1-14-7-9-15(10-8-14)19-13-22-20-18(6-3-11-24(19)20)23-17-5-2-4-16(21)12-17/h2-13,23H,21H2,1H3
InChIKeySFXJGRRGMICKMH-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.64
Rot. Bonds3

About 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine

3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine (PubChem CID 143464892) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine
PubChem CID143464892
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine
SMILESCc1ccc(-c2cnc3c(Nc4cccc(N)c4)cccn23)cc1
InChIInChI=1S/C20H18N4/c1-14-7-9-15(10-8-14)19-13-22-20-18(6-3-11-24(19)20)23-17-5-2-4-16(21)12-17/h2-13,23H,21H2,1H3
InChIKeySFXJGRRGMICKMH-UHFFFAOYSA-N
XLogP4.64
TPSA55.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine?
The IUPAC name of 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine (CID 143464892) is 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine.
What is the SMILES notation for 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine?
The canonical SMILES for 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine is Cc1ccc(-c2cnc3c(Nc4cccc(N)c4)cccn23)cc1.
What is the InChIKey of 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine?
The InChIKey is SFXJGRRGMICKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-7-9-15(10-8-14)19-13-22-20-18(6-3-11-24(19)20)23-17-5-2-4-16(21)12-17/h2-13,23H,21H2,1H3.
What are the key properties of 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine?
3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine has a molecular weight of 314.39 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(4-methylphenyl)imidazo[1,2-a]pyridin-8-yl]benzene-1,3-diamine is sourced from PubChem (CID 143464892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).