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

C21H13Cl3N2O — CID 58156336

IUPAC2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H13Cl3N2O/c22-14-4-1-3-12(9-14)10-19(27)13-7-8-17-18(11-13)26-21(25-17)20-15(23)5-2-6-16(20)24/h1-9,11H,10H2,(H,25,26)
InChIKeyBNHYETJSFUZTSA-UHFFFAOYSA-N
MW415.71 g/mol
LogP6.62
Rot. Bonds4

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

2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone (PubChem CID 58156336) has the molecular formula C21H13Cl3N2O and a molecular weight of 415.71 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
PubChem CID58156336
Molecular FormulaC21H13Cl3N2O
Molecular Weight415.71 g/mol
Exact Mass414.01
IUPAC Name2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
SMILESO=C(Cc1cccc(Cl)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H13Cl3N2O/c22-14-4-1-3-12(9-14)10-19(27)13-7-8-17-18(11-13)26-21(25-17)20-15(23)5-2-6-16(20)24/h1-9,11H,10H2,(H,25,26)
InChIKeyBNHYETJSFUZTSA-UHFFFAOYSA-N
XLogP6.62
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.71
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-quinolin-6-ylethanone
CID 58156343
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
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491
7-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]-4-methylchromen-2-one
CID 58156249
ethyl (E)-3-[4-[2-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-oxoethyl]phenyl]prop-2-enoate
CID 58156253
2-quinolin-2-yl-1-[2-(2,4,6-trichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 58156130
1-(3-chlorophenyl)-2-[2-[4-(dimethylamino)phenyl]-3H-benzimidazol-5-yl]ethanone
CID 153248478
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173
2-(2,6-dichlorophenyl)-6-prop-1-en-2-yl-1H-benzimidazole
CID 143659620

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The IUPAC name of 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone (CID 58156336) is 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The canonical SMILES for 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone is O=C(Cc1cccc(Cl)c1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
The InChIKey is BNHYETJSFUZTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl3N2O/c22-14-4-1-3-12(9-14)10-19(27)13-7-8-17-18(11-13)26-21(25-17)20-15(23)5-2-6-16(20)24/h1-9,11H,10H2,(H,25,26).
What are the key properties of 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone?
2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone has a molecular weight of 415.71 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone is sourced from PubChem (CID 58156336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).