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

C24H20FN3O — CID 17002228

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(-c2ccccc2F)nc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C24H20FN3O/c25-19-11-3-2-10-18(19)24-26-20-12-4-6-14-22(20)28(24)16-23(29)27-15-7-9-17-8-1-5-13-21(17)27/h1-6,8,10-14H,7,9,15-16H2
InChIKeyQVNJTGOVKMTGNV-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.82
Rot. Bonds3

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

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone (PubChem CID 17002228) has the molecular formula C24H20FN3O and a molecular weight of 385.44 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
PubChem CID17002228
Molecular FormulaC24H20FN3O
Molecular Weight385.44 g/mol
Exact Mass385.16
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone
SMILESO=C(Cn1c(-c2ccccc2F)nc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C24H20FN3O/c25-19-11-3-2-10-18(19)24-26-20-12-4-6-14-22(20)28(24)16-23(29)27-15-7-9-17-8-1-5-13-21(17)27/h1-6,8,10-14H,7,9,15-16H2
InChIKeyQVNJTGOVKMTGNV-UHFFFAOYSA-N
XLogP4.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16987816
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-pyridin-3-ylbenzimidazol-1-yl)ethanone
CID 30867769
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
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-(3-hydroxypropyl)benzimidazol-1-yl]ethanone
CID 16995549
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-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
N-[[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]methyl]-2,2-dimethylpropanamide
CID 16969600
methyl 2-[2-(2-fluorophenyl)benzimidazol-1-yl]acetate
CID 17002230
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-ethylquinazolin-4-one
CID 860000
N-[2-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976328

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone (CID 17002228) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone is O=C(Cn1c(-c2ccccc2F)nc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone?
The InChIKey is QVNJTGOVKMTGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O/c25-19-11-3-2-10-18(19)24-26-20-12-4-6-14-22(20)28(24)16-23(29)27-15-7-9-17-8-1-5-13-21(17)27/h1-6,8,10-14H,7,9,15-16H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone has a molecular weight of 385.44 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-fluorophenyl)benzimidazol-1-yl]ethanone is sourced from PubChem (CID 17002228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).