N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

C23H23N3 — CID 808782

IUPACN-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(C)n2c(NCc3ccccc3)c(-c3ccccc3C)nc2c1
InChIInChI=1S/C23H23N3/c1-16-13-18(3)26-21(14-16)25-22(20-12-8-7-9-17(20)2)23(26)24-15-19-10-5-4-6-11-19/h4-14,24H,15H2,1-3H3
InChIKeyVKMGSDUJZDHZCQ-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.54
Rot. Bonds4

About N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine

N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 808782) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
PubChem CID808782
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(C)n2c(NCc3ccccc3)c(-c3ccccc3C)nc2c1
InChIInChI=1S/C23H23N3/c1-16-13-18(3)26-21(14-16)25-22(20-12-8-7-9-17(20)2)23(26)24-15-19-10-5-4-6-11-19/h4-14,24H,15H2,1-3H3
InChIKeyVKMGSDUJZDHZCQ-UHFFFAOYSA-N
XLogP5.54
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine (CID 808782) is N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is Cc1cc(C)n2c(NCc3ccccc3)c(-c3ccccc3C)nc2c1.
What is the InChIKey of N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is VKMGSDUJZDHZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-16-13-18(3)26-21(14-16)25-22(20-12-8-7-9-17(20)2)23(26)24-15-19-10-5-4-6-11-19/h4-14,24H,15H2,1-3H3.
What are the key properties of N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine?
N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 341.46 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5,7-dimethyl-2-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 808782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).