N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide

C23H28N6 — CID 11794661

IUPACN'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc(/C=C/c2cn3cc(/C(N)=N/C(C)C)ccc3n2)cc1
InChIInChI=1S/C23H28N6/c1-15(2)26-22(24)18-8-5-17(6-9-18)7-11-20-14-29-13-19(10-12-21(29)28-20)23(25)27-16(3)4/h5-16H,1-4H3,(H2,24,26)(H2,25,27)/b11-7+
InChIKeyGPPSZDQWTVFZEL-YRNVUSSQSA-N
MW388.52 g/mol
LogP3.73
Rot. Bonds6

About N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide

N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide (PubChem CID 11794661) has the molecular formula C23H28N6 and a molecular weight of 388.52 g/mol. Its IUPAC name is N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide.

Molecular Properties

Compound NameN'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide
PubChem CID11794661
Molecular FormulaC23H28N6
Molecular Weight388.52 g/mol
Exact Mass388.24
IUPAC NameN'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc(/C=C/c2cn3cc(/C(N)=N/C(C)C)ccc3n2)cc1
InChIInChI=1S/C23H28N6/c1-15(2)26-22(24)18-8-5-17(6-9-18)7-11-20-14-29-13-19(10-12-21(29)28-20)23(25)27-16(3)4/h5-16H,1-4H3,(H2,24,26)(H2,25,27)/b11-7+
InChIKeyGPPSZDQWTVFZEL-YRNVUSSQSA-N
XLogP3.73
TPSA94.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
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 N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
The IUPAC name of N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide (CID 11794661) is N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide.
What is the SMILES notation for N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
The canonical SMILES for N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide is CC(C)/N=C(\N)c1ccc(/C=C/c2cn3cc(/C(N)=N/C(C)C)ccc3n2)cc1.
What is the InChIKey of N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
The InChIKey is GPPSZDQWTVFZEL-YRNVUSSQSA-N. The full InChI is InChI=1S/C23H28N6/c1-15(2)26-22(24)18-8-5-17(6-9-18)7-11-20-14-29-13-19(10-12-21(29)28-20)23(25)27-16(3)4/h5-16H,1-4H3,(H2,24,26)(H2,25,27)/b11-7+.
What are the key properties of N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide?
N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide has a molecular weight of 388.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-2-[(E)-2-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]ethenyl]imidazo[1,2-a]pyridine-6-carboximidamide is sourced from PubChem (CID 11794661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).