2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine

C23H24N6 — CID 127040833

IUPAC2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
SMILESCCc1ccc(-c2nc3ccccn3c2NCc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C23H24N6/c1-2-16-6-10-18(11-7-16)21-22(29-14-4-3-5-20(29)28-21)26-15-17-8-12-19(13-9-17)27-23(24)25/h3-14,26H,2,15H2,1H3,(H4,24,25,27)
InChIKeyXPUFTGUNIFZYDH-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.08
Rot. Bonds6

About 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine

2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine (PubChem CID 127040833) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine.

Molecular Properties

Compound Name2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
PubChem CID127040833
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine
SMILESCCc1ccc(-c2nc3ccccn3c2NCc2ccc(N=C(N)N)cc2)cc1
InChIInChI=1S/C23H24N6/c1-2-16-6-10-18(11-7-16)21-22(29-14-4-3-5-20(29)28-21)26-15-17-8-12-19(13-9-17)27-23(24)25/h3-14,26H,2,15H2,1H3,(H4,24,25,27)
InChIKeyXPUFTGUNIFZYDH-UHFFFAOYSA-N
XLogP4.08
TPSA93.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine?
The IUPAC name of 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine (CID 127040833) is 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine.
What is the SMILES notation for 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine?
The canonical SMILES for 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine is CCc1ccc(-c2nc3ccccn3c2NCc2ccc(N=C(N)N)cc2)cc1.
What is the InChIKey of 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine?
The InChIKey is XPUFTGUNIFZYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-2-16-6-10-18(11-7-16)21-22(29-14-4-3-5-20(29)28-21)26-15-17-8-12-19(13-9-17)27-23(24)25/h3-14,26H,2,15H2,1H3,(H4,24,25,27).
What are the key properties of 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine?
2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine has a molecular weight of 384.49 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[2-(4-ethylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]phenyl]guanidine is sourced from PubChem (CID 127040833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).