7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

C20H20N4O — CID 138807286

IUPAC7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNCCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1
InChIInChI=1S/C20H20N4O/c21-9-7-14-1-3-16(4-2-14)19-22-11-12-24(19)17-6-5-15-8-10-23-20(25)18(15)13-17/h1-6,11-13H,7-10,21H2,(H,23,25)
InChIKeyJOIJJCNJLYROFG-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.33
Rot. Bonds4

About 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one

7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 138807286) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID138807286
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
SMILESNCCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1
InChIInChI=1S/C20H20N4O/c21-9-7-14-1-3-16(4-2-14)19-22-11-12-24(19)17-6-5-15-8-10-23-20(25)18(15)13-17/h1-6,11-13H,7-10,21H2,(H,23,25)
InChIKeyJOIJJCNJLYROFG-UHFFFAOYSA-N
XLogP2.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[2-(2,5-dichlorophenyl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138386014
7-[2-[4-[2-(dimethylamino)ethoxy]phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one;formic acid
CID 154920241
7-[2-(5-propylfuran-2-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138381607
2-methoxy-5-[1-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)imidazol-2-yl]benzoic acid
CID 138377869
7-[2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138381450
7-[2-[5-(piperidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138386634
7-[2-(6-methoxy-1,3-benzodioxol-5-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138380939
7-[2-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one
CID 138383432
7-[[[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)methylamino]pyrazin-2-yl]amino]methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 166216360
2-[4-(2-methylimidazol-1-yl)phenyl]ethanamine
CID 63817285
7-(4-cyclopropylimidazol-1-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 147958590
7-(3-aminopropoxy)-3,4-dihydro-2H-isoquinolin-1-one
CID 83853149

Frequently Asked Questions

What is the IUPAC name of 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one (CID 138807286) is 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is NCCc1ccc(-c2nccn2-c2ccc3c(c2)C(=O)NCC3)cc1.
What is the InChIKey of 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is JOIJJCNJLYROFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c21-9-7-14-1-3-16(4-2-14)19-22-11-12-24(19)17-6-5-15-8-10-23-20(25)18(15)13-17/h1-6,11-13H,7-10,21H2,(H,23,25).
What are the key properties of 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one?
7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 332.41 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[4-(2-aminoethyl)phenyl]imidazol-1-yl]-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 138807286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).