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

C23H18Cl2N2O — CID 58156251

IUPAC1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1C
InChIInChI=1S/C23H18Cl2N2O/c1-13-6-7-15(10-14(13)2)11-21(28)16-8-9-19-20(12-16)27-23(26-19)22-17(24)4-3-5-18(22)25/h3-10,12H,11H2,1-2H3,(H,26,27)
InChIKeyYYCCWEWCHPYAJS-UHFFFAOYSA-N
MW409.32 g/mol
LogP6.58
Rot. Bonds4

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

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone (PubChem CID 58156251) has the molecular formula C23H18Cl2N2O and a molecular weight of 409.32 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
PubChem CID58156251
Molecular FormulaC23H18Cl2N2O
Molecular Weight409.32 g/mol
Exact Mass408.08
IUPAC Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1C
InChIInChI=1S/C23H18Cl2N2O/c1-13-6-7-15(10-14(13)2)11-21(28)16-8-9-19-20(12-16)27-23(26-19)22-17(24)4-3-5-18(22)25/h3-10,12H,11H2,1-2H3,(H,26,27)
InChIKeyYYCCWEWCHPYAJS-UHFFFAOYSA-N
XLogP6.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.32
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-chloro-6-methylphenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone
CID 58156387
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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 58156366
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
CID 58156343
7-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]-4-methylchromen-2-one
CID 58156249
2-(3,4-dimethylphenyl)-1-[2-(2,3-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156357
2-(4-butylphenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone;carbon dioxide
CID 161155663
2-[4-[6-[2-(3,4-dimethylphenyl)acetyl]-1H-benzimidazol-2-yl]-3,5-dimethylphenoxy]acetic acid
CID 58156365
ethyl (E)-3-[4-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]phenyl]prop-2-enoate
CID 58156253
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
2-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 66965180
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone (CID 58156251) is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone is Cc1ccc(CC(=O)c2ccc3nc(-c4c(Cl)cccc4Cl)[nH]c3c2)cc1C.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
The InChIKey is YYCCWEWCHPYAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2O/c1-13-6-7-15(10-14(13)2)11-21(28)16-8-9-19-20(12-16)27-23(26-19)22-17(24)4-3-5-18(22)25/h3-10,12H,11H2,1-2H3,(H,26,27).
What are the key properties of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone?
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone has a molecular weight of 409.32 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(3,4-dimethylphenyl)ethanone is sourced from PubChem (CID 58156251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).