2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone

C24H14Cl3N3O — CID 58156130

IUPAC2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(Cc1ccc2ccccc2n1)c1ccc2nc(-c3c(Cl)cc(Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C24H14Cl3N3O/c25-15-10-17(26)23(18(27)11-15)24-29-20-8-6-14(9-21(20)30-24)22(31)12-16-7-5-13-3-1-2-4-19(13)28-16/h1-11H,12H2,(H,29,30)
InChIKeyVZYKLQBPBVCSCW-UHFFFAOYSA-N
MW466.76 g/mol
LogP7.16
Rot. Bonds4

About 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone

2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 58156130) has the molecular formula C24H14Cl3N3O and a molecular weight of 466.76 g/mol. Its IUPAC name is 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID58156130
Molecular FormulaC24H14Cl3N3O
Molecular Weight466.76 g/mol
Exact Mass465.02
IUPAC Name2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(Cc1ccc2ccccc2n1)c1ccc2nc(-c3c(Cl)cc(Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C24H14Cl3N3O/c25-15-10-17(26)23(18(27)11-15)24-29-20-8-6-14(9-21(20)30-24)22(31)12-16-7-5-13-3-1-2-4-19(13)28-16/h1-11H,12H2,(H,29,30)
InChIKeyVZYKLQBPBVCSCW-UHFFFAOYSA-N
XLogP7.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.76
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156336
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
CID 58156343
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
2-(2,6-dichloro-4-methoxyphenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 173123224
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58156366
methyl 2-[3,5-dichloro-4-[6-(quinolin-2-ylcarbamoyl)-1H-benzimidazol-2-yl]phenoxy]acetate
CID 66965705
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]quinoline-2-carboxamide
CID 58156302
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
1-(3-fluoro-4-methylphenyl)-2-quinolin-2-ylethanone
CID 28935285
1-[4-(aminomethyl)phenyl]-2-quinolin-2-ylethanone
CID 116548351
2-(4-butylphenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone;carbon dioxide
CID 161155663

Frequently Asked Questions

What is the IUPAC name of 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone (CID 58156130) is 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone is O=C(Cc1ccc2ccccc2n1)c1ccc2nc(-c3c(Cl)cc(Cl)cc3Cl)[nH]c2c1.
What is the InChIKey of 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is VZYKLQBPBVCSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14Cl3N3O/c25-15-10-17(26)23(18(27)11-15)24-29-20-8-6-14(9-21(20)30-24)22(31)12-16-7-5-13-3-1-2-4-19(13)28-16/h1-11H,12H2,(H,29,30).
What are the key properties of 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 466.76 g/mol, XLogP of 7.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 58156130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).