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

C19H19N3O — CID 74234087

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
SMILESCc1nc2ccc(CC(=O)N3CCc4ccccc4C3)cc2[nH]1
InChIInChI=1S/C19H19N3O/c1-13-20-17-7-6-14(10-18(17)21-13)11-19(23)22-9-8-15-4-2-3-5-16(15)12-22/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyUEKZQHSTJGTOJC-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.00
Rot. Bonds2

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

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone (PubChem CID 74234087) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
PubChem CID74234087
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
SMILESCc1nc2ccc(CC(=O)N3CCc4ccccc4C3)cc2[nH]1
InChIInChI=1S/C19H19N3O/c1-13-20-17-7-6-14(10-18(17)21-13)11-19(23)22-9-8-15-4-2-3-5-16(15)12-22/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)
InChIKeyUEKZQHSTJGTOJC-UHFFFAOYSA-N
XLogP3.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
2-(3,4-dichlorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2440562
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 56744296
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2,5-dimethyl-1H-pyrimidin-6-one
CID 136663311
2-(2-methyl-3H-benzimidazol-5-yl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 139894610
7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 50960317
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone;dihydrochloride
CID 154907116
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107020839
2-(2-methyl-3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814291
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethanone
CID 90895697
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773051

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone (CID 74234087) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone is Cc1nc2ccc(CC(=O)N3CCc4ccccc4C3)cc2[nH]1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone?
The InChIKey is UEKZQHSTJGTOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-20-17-7-6-14(10-18(17)21-13)11-19(23)22-9-8-15-4-2-3-5-16(15)12-22/h2-7,10H,8-9,11-12H2,1H3,(H,20,21).
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone has a molecular weight of 305.38 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone is sourced from PubChem (CID 74234087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).