1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

C22H20N4OS — CID 41022826

IUPAC1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)Cn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C22H20N4OS/c1-15-10-11-16-6-2-4-8-19(16)26(15)21(27)12-25-20-9-5-3-7-17(20)24-22(25)18-13-28-14-23-18/h2-9,13-15H,10-12H2,1H3/t15-/m1/s1
InChIKeyYWAFOPQUDBNEBZ-OAHLLOKOSA-N
MW388.50 g/mol
LogP4.53
Rot. Bonds3

About 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone (PubChem CID 41022826) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
PubChem CID41022826
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
SMILESC[C@@H]1CCc2ccccc2N1C(=O)Cn1c(-c2cscn2)nc2ccccc21
InChIInChI=1S/C22H20N4OS/c1-15-10-11-16-6-2-4-8-19(16)26(15)21(27)12-25-20-9-5-3-7-17(20)24-22(25)18-13-28-14-23-18/h2-9,13-15H,10-12H2,1H3/t15-/m1/s1
InChIKeyYWAFOPQUDBNEBZ-OAHLLOKOSA-N
XLogP4.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
1-[2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]quinoxalin-2-one
CID 42885478
1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 40808983
1-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17434138
N-[(4-methylphenyl)methyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17489928
N-[(2R,4aS,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 40718245
N-[(1R,2R)-2-(hydroxymethyl)cyclohexyl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 99776473
1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 25339510
N-(4-fluorophenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 24513606
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
N-(2,4-dimethoxyphenyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 27445143
2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 3569474

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone (CID 41022826) is 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone is C[C@@H]1CCc2ccccc2N1C(=O)Cn1c(-c2cscn2)nc2ccccc21.
What is the InChIKey of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
The InChIKey is YWAFOPQUDBNEBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-15-10-11-16-6-2-4-8-19(16)26(15)21(27)12-25-20-9-5-3-7-17(20)24-22(25)18-13-28-14-23-18/h2-9,13-15H,10-12H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone?
1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone has a molecular weight of 388.50 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 41022826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).