5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine

C21H20N4 — CID 59438663

IUPAC5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine
SMILESCN(C)c1cnc2cccc(C(c3ccccc3)c3cnc[nH]3)c2c1
InChIInChI=1S/C21H20N4/c1-25(2)16-11-18-17(9-6-10-19(18)23-12-16)21(20-13-22-14-24-20)15-7-4-3-5-8-15/h3-14,21H,1-2H3,(H,22,24)
InChIKeyUCKGMXMRSLVKTD-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.20
Rot. Bonds4

About 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine

5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine (PubChem CID 59438663) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine.

Molecular Properties

Compound Name5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine
PubChem CID59438663
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine
SMILESCN(C)c1cnc2cccc(C(c3ccccc3)c3cnc[nH]3)c2c1
InChIInChI=1S/C21H20N4/c1-25(2)16-11-18-17(9-6-10-19(18)23-12-16)21(20-13-22-14-24-20)15-7-4-3-5-8-15/h3-14,21H,1-2H3,(H,22,24)
InChIKeyUCKGMXMRSLVKTD-UHFFFAOYSA-N
XLogP4.20
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine?
The IUPAC name of 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine (CID 59438663) is 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine.
What is the SMILES notation for 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine?
The canonical SMILES for 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine is CN(C)c1cnc2cccc(C(c3ccccc3)c3cnc[nH]3)c2c1.
What is the InChIKey of 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine?
The InChIKey is UCKGMXMRSLVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-25(2)16-11-18-17(9-6-10-19(18)23-12-16)21(20-13-22-14-24-20)15-7-4-3-5-8-15/h3-14,21H,1-2H3,(H,22,24).
What are the key properties of 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine?
5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine has a molecular weight of 328.42 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1H-imidazol-5-yl(phenyl)methyl]-N,N-dimethylquinolin-3-amine is sourced from PubChem (CID 59438663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).