1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone

C24H15Cl2N3O — CID 58156343

IUPAC1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
SMILESO=C(Cc1ccc2ncccc2c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C24H15Cl2N3O/c25-17-4-1-5-18(26)23(17)24-28-20-9-7-16(13-21(20)29-24)22(30)12-14-6-8-19-15(11-14)3-2-10-27-19/h1-11,13H,12H2,(H,28,29)
InChIKeyOXZHQAILAROYKC-UHFFFAOYSA-N
MW432.31 g/mol
LogP6.51
Rot. Bonds4

About 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone (PubChem CID 58156343) has the molecular formula C24H15Cl2N3O and a molecular weight of 432.31 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
PubChem CID58156343
Molecular FormulaC24H15Cl2N3O
Molecular Weight432.31 g/mol
Exact Mass431.06
IUPAC Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
SMILESO=C(Cc1ccc2ncccc2c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C24H15Cl2N3O/c25-17-4-1-5-18(26)23(17)24-28-20-9-7-16(13-21(20)29-24)22(30)12-14-6-8-19-15(11-14)3-2-10-27-19/h1-11,13H,12H2,(H,28,29)
InChIKeyOXZHQAILAROYKC-UHFFFAOYSA-N
XLogP6.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.31
LogP ≤ 56.51
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
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156251
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58156366
1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156387
2-(4-butylphenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone;carbon dioxide
CID 161155663
7-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]-4-methylchromen-2-one
CID 58156249
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
ethyl (E)-3-[4-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]phenyl]prop-2-enoate
CID 58156253
2-(3-fluorophenyl)-1-quinolin-6-ylethanone
CID 63096139
2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156130
2-(4-methylphenyl)-1-quinolin-6-ylethanone
CID 63096314
2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone (CID 58156343) is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone is O=C(Cc1ccc2ncccc2c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone?
The InChIKey is OXZHQAILAROYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N3O/c25-17-4-1-5-18(26)23(17)24-28-20-9-7-16(13-21(20)29-24)22(30)12-14-6-8-19-15(11-14)3-2-10-27-19/h1-11,13H,12H2,(H,28,29).
What are the key properties of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone?
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone has a molecular weight of 432.31 g/mol, XLogP of 6.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone is sourced from PubChem (CID 58156343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).