N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine

C24H23N3 — CID 42738351

IUPACN-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESC/C(=C\c1ccccc1)c1nc2cccc(C)n2c1NCc1ccccc1
InChIInChI=1S/C24H23N3/c1-18(16-20-11-5-3-6-12-20)23-24(25-17-21-13-7-4-8-14-21)27-19(2)10-9-15-22(27)26-23/h3-16,25H,17H2,1-2H3/b18-16+
InChIKeyDYRJRCWIXPRJGM-FBMGVBCBSA-N
MW353.47 g/mol
LogP5.82
Rot. Bonds5

About N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine

N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine (PubChem CID 42738351) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine
PubChem CID42738351
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC NameN-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine
SMILESC/C(=C\c1ccccc1)c1nc2cccc(C)n2c1NCc1ccccc1
InChIInChI=1S/C24H23N3/c1-18(16-20-11-5-3-6-12-20)23-24(25-17-21-13-7-4-8-14-21)27-19(2)10-9-15-22(27)26-23/h3-16,25H,17H2,1-2H3/b18-16+
InChIKeyDYRJRCWIXPRJGM-FBMGVBCBSA-N
XLogP5.82
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine (CID 42738351) is N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine is C/C(=C\c1ccccc1)c1nc2cccc(C)n2c1NCc1ccccc1.
What is the InChIKey of N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine?
The InChIKey is DYRJRCWIXPRJGM-FBMGVBCBSA-N. The full InChI is InChI=1S/C24H23N3/c1-18(16-20-11-5-3-6-12-20)23-24(25-17-21-13-7-4-8-14-21)27-19(2)10-9-15-22(27)26-23/h3-16,25H,17H2,1-2H3/b18-16+.
What are the key properties of N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine?
N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine has a molecular weight of 353.47 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-methyl-2-[(E)-1-phenylprop-1-en-2-yl]imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 42738351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).