1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride

C19H25Cl2N3 — CID 75537301

IUPAC1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCCc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H23N3.2ClH/c1-5-15-6-8-16(9-7-15)19-17(13-21(3)4)22-11-10-14(2)12-18(22)20-19;;/h6-12H,5,13H2,1-4H3;2*1H
InChIKeySPRHSSZQIJYHEH-UHFFFAOYSA-N
MW366.34 g/mol
LogP4.78
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride

1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride (PubChem CID 75537301) has the molecular formula C19H25Cl2N3 and a molecular weight of 366.34 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride
PubChem CID75537301
Molecular FormulaC19H25Cl2N3
Molecular Weight366.34 g/mol
Exact Mass365.14
IUPAC Name1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride
SMILESCCc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1.Cl.Cl
InChIInChI=1S/C19H23N3.2ClH/c1-5-15-6-8-16(9-7-15)19-17(13-21(3)4)22-11-10-14(2)12-18(22)20-19;;/h6-12H,5,13H2,1-4H3;2*1H
InChIKeySPRHSSZQIJYHEH-UHFFFAOYSA-N
XLogP4.78
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride?
The IUPAC name of 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride (CID 75537301) is 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride?
The canonical SMILES for 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride is CCc1ccc(-c2nc3cc(C)ccn3c2CN(C)C)cc1.Cl.Cl.
What is the InChIKey of 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride?
The InChIKey is SPRHSSZQIJYHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3.2ClH/c1-5-15-6-8-16(9-7-15)19-17(13-21(3)4)22-11-10-14(2)12-18(22)20-19;;/h6-12H,5,13H2,1-4H3;2*1H.
What are the key properties of 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride?
1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride has a molecular weight of 366.34 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;dihydrochloride is sourced from PubChem (CID 75537301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).