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

C24H19Cl2N3O — CID 16987816

IUPAC2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C24H19Cl2N3O/c25-17-11-12-18(19(26)14-17)24-27-20-8-2-4-10-22(20)29(24)15-23(30)28-13-5-7-16-6-1-3-9-21(16)28/h1-4,6,8-12,14H,5,7,13,15H2
InChIKeyRNYDGIOUSLHZCK-UHFFFAOYSA-N
MW436.34 g/mol
LogP5.99
Rot. Bonds3

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

2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (PubChem CID 16987816) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
PubChem CID16987816
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC Name2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
SMILESO=C(Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCc2ccccc21
InChIInChI=1S/C24H19Cl2N3O/c25-17-11-12-18(19(26)14-17)24-27-20-8-2-4-10-22(20)29(24)15-23(30)28-13-5-7-16-6-1-3-9-21(16)28/h1-4,6,8-12,14H,5,7,13,15H2
InChIKeyRNYDGIOUSLHZCK-UHFFFAOYSA-N
XLogP5.99
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone
CID 17436853
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
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 16987815
2-(2-cyclopropylbenzimidazol-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16996738
3-chloro-N-[1-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16966997
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
2-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 16514298
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]ethanone
CID 51250220
3-chloro-N-[5-[1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990550

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone (CID 16987816) is 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is O=C(Cn1c(-c2ccc(Cl)cc2Cl)nc2ccccc21)N1CCCc2ccccc21.
What is the InChIKey of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
The InChIKey is RNYDGIOUSLHZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c25-17-11-12-18(19(26)14-17)24-27-20-8-2-4-10-22(20)29(24)15-23(30)28-13-5-7-16-6-1-3-9-21(16)28/h1-4,6,8-12,14H,5,7,13,15H2.
What are the key properties of 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone?
2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone has a molecular weight of 436.34 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dichlorophenyl)benzimidazol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 16987816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).