1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone

C23H20N4O — CID 30867769

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2cccnc2)nc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C23H20N4O/c28-22(26-14-6-9-17-7-1-3-11-20(17)26)16-27-21-12-4-2-10-19(21)25-23(27)18-8-5-13-24-15-18/h1-5,7-8,10-13,15H,6,9,14,16H2
InChIKeyNXBSXTHGBYUOBD-UHFFFAOYSA-N
MW368.44 g/mol
LogP4.08
Rot. Bonds3

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone (PubChem CID 30867769) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone
PubChem CID30867769
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone
SMILESO=C(Cn1c(-c2cccnc2)nc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C23H20N4O/c28-22(26-14-6-9-17-7-1-3-11-20(17)26)16-27-21-12-4-2-10-19(21)25-23(27)18-8-5-13-24-15-18/h1-5,7-8,10-13,15H,6,9,14,16H2
InChIKeyNXBSXTHGBYUOBD-UHFFFAOYSA-N
XLogP4.08
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
CID 17002228
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(furan-2-yl)benzimidazol-1-yl]ethanone
CID 1176479
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16987816
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-ethylsulfonylbenzimidazol-1-yl)ethanone
CID 18576773
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3-hydroxypropyl)benzimidazol-1-yl]ethanone
CID 16995549
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethanone
CID 110371938
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969600
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)amino]ethanone
CID 133273214

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone (CID 30867769) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone is O=C(Cn1c(-c2cccnc2)nc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone?
The InChIKey is NXBSXTHGBYUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O/c28-22(26-14-6-9-17-7-1-3-11-20(17)26)16-27-21-12-4-2-10-19(21)25-23(27)18-8-5-13-24-15-18/h1-5,7-8,10-13,15H,6,9,14,16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone has a molecular weight of 368.44 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-pyridin-3-ylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 30867769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).