2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone

C20H21N3O — CID 82052662

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
SMILESCCc1nc2ccc(C(=O)CN3CCc4ccccc4C3)cc2[nH]1
InChIInChI=1S/C20H21N3O/c1-2-20-21-17-8-7-15(11-18(17)22-20)19(24)13-23-10-9-14-5-3-4-6-16(14)12-23/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,22)
InChIKeyNRSQOFCJBGDRAD-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.37
Rot. Bonds4

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone

2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 82052662) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
PubChem CID82052662
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
SMILESCCc1nc2ccc(C(=O)CN3CCc4ccccc4C3)cc2[nH]1
InChIInChI=1S/C20H21N3O/c1-2-20-21-17-8-7-15(11-18(17)22-20)19(24)13-23-10-9-14-5-3-4-6-16(14)12-23/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,22)
InChIKeyNRSQOFCJBGDRAD-UHFFFAOYSA-N
XLogP3.37
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone 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

1-(2-ethyl-3H-benzimidazol-5-yl)propan-1-one
CID 39104518
1-(2-ethyl-3H-benzimidazol-5-yl)-2-ethylsulfanylethanone
CID 82052672
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82102443
(4-benzylpiperazin-1-yl)-(2-ethyl-3H-benzimidazol-5-yl)methanone
CID 110765544
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(4-ethylsulfanylphenyl)ethanone
CID 82052829
2-cyclohexylsulfanyl-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone
CID 82052673
1-(2-ethyl-3H-benzimidazol-5-yl)-2-methylpropan-1-one
CID 82493033
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
[2-[[6-(3,4-dihydro-1H-isoquinoline-2-carboximidoyl)-1H-benzimidazol-2-yl]methyl]-3H-benzimidazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanimine
CID 54243406
(2-ethyl-3H-benzimidazol-5-yl)-piperidin-4-ylmethanone
CID 82499869

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone (CID 82052662) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone is CCc1nc2ccc(C(=O)CN3CCc4ccccc4C3)cc2[nH]1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is NRSQOFCJBGDRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-20-21-17-8-7-15(11-18(17)22-20)19(24)13-23-10-9-14-5-3-4-6-16(14)12-23/h3-8,11H,2,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 319.41 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 82052662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).