N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride

C22H26ClN5 — CID 24890693

IUPACN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride
SMILESCc1cccc(C)c1CNc1cc(-n2cncc2C)cn2c(C)c(C)nc12.Cl
InChIInChI=1S/C22H25N5.ClH/c1-14-7-6-8-15(2)20(14)11-24-21-9-19(27-13-23-10-16(27)3)12-26-18(5)17(4)25-22(21)26;/h6-10,12-13,24H,11H2,1-5H3;1H
InChIKeyLDJDWBJSTUHCAI-UHFFFAOYSA-N
MW395.94 g/mol
LogP5.10
Rot. Bonds4

About N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride

N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride (PubChem CID 24890693) has the molecular formula C22H26ClN5 and a molecular weight of 395.94 g/mol. Its IUPAC name is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride.

Molecular Properties

Compound NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride
PubChem CID24890693
Molecular FormulaC22H26ClN5
Molecular Weight395.94 g/mol
Exact Mass395.19
IUPAC NameN-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride
SMILESCc1cccc(C)c1CNc1cc(-n2cncc2C)cn2c(C)c(C)nc12.Cl
InChIInChI=1S/C22H25N5.ClH/c1-14-7-6-8-15(2)20(14)11-24-21-9-19(27-13-23-10-16(27)3)12-26-18(5)17(4)25-22(21)26;/h6-10,12-13,24H,11H2,1-5H3;1H
InChIKeyLDJDWBJSTUHCAI-UHFFFAOYSA-N
XLogP5.10
TPSA47.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.94
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride?
The IUPAC name of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride (CID 24890693) is N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride.
What is the SMILES notation for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride?
The canonical SMILES for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride is Cc1cccc(C)c1CNc1cc(-n2cncc2C)cn2c(C)c(C)nc12.Cl.
What is the InChIKey of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride?
The InChIKey is LDJDWBJSTUHCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5.ClH/c1-14-7-6-8-15(2)20(14)11-24-21-9-19(27-13-23-10-16(27)3)12-26-18(5)17(4)25-22(21)26;/h6-10,12-13,24H,11H2,1-5H3;1H.
What are the key properties of N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride?
N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride has a molecular weight of 395.94 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylphenyl)methyl]-2,3-dimethyl-6-(5-methylimidazol-1-yl)imidazo[1,2-a]pyridin-8-amine;hydrochloride is sourced from PubChem (CID 24890693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).