1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline

C21H21N3O — CID 10131614

IUPAC1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline
SMILESCOc1cccc(C(CC2=NCCN2)c2nccc3ccccc23)c1
InChIInChI=1S/C21H21N3O/c1-25-17-7-4-6-16(13-17)19(14-20-22-11-12-23-20)21-18-8-3-2-5-15(18)9-10-24-21/h2-10,13,19H,11-12,14H2,1H3,(H,22,23)
InChIKeyOXXUGNQMLGNZQB-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.77
Rot. Bonds5

About 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline

1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline (PubChem CID 10131614) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline.

Molecular Properties

Compound Name1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline
PubChem CID10131614
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline
SMILESCOc1cccc(C(CC2=NCCN2)c2nccc3ccccc23)c1
InChIInChI=1S/C21H21N3O/c1-25-17-7-4-6-16(13-17)19(14-20-22-11-12-23-20)21-18-8-3-2-5-15(18)9-10-24-21/h2-10,13,19H,11-12,14H2,1H3,(H,22,23)
InChIKeyOXXUGNQMLGNZQB-UHFFFAOYSA-N
XLogP3.77
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)-2-methylpropyl]pyridine
CID 59912621
2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
CID 12632116
isoquinolin-1-yl-(4-methoxyphenyl)methanol
CID 4211286
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 3086490
(S)-(6-methoxyisoquinolin-1-yl)-(4-methoxyphenyl)methanol
CID 125482431
1-(3-methoxyphenyl)-2-naphthalen-1-yloxyethanamine
CID 16788018
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 67438328
(3-methoxyphenyl)-phenanthren-9-ylmethanol
CID 72942494
1-(3-bromo-1-phenylpropyl)-3-methoxybenzene
CID 22325018
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyaniline
CID 12774555
2-(4,5-dihydro-1H-imidazol-2-yl)-1-(6-methoxynaphthalen-2-yl)ethanone
CID 116826241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline?
The IUPAC name of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline (CID 10131614) is 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline.
What is the SMILES notation for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline?
The canonical SMILES for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline is COc1cccc(C(CC2=NCCN2)c2nccc3ccccc23)c1.
What is the InChIKey of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline?
The InChIKey is OXXUGNQMLGNZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c1-25-17-7-4-6-16(13-17)19(14-20-22-11-12-23-20)21-18-8-3-2-5-15(18)9-10-24-21/h2-10,13,19H,11-12,14H2,1H3,(H,22,23).
What are the key properties of 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline?
1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline has a molecular weight of 331.42 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethyl]isoquinoline is sourced from PubChem (CID 10131614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).