1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

C25H20Cl2N2O — CID 58156366

IUPAC1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCC2)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C25H20Cl2N2O/c26-19-6-3-7-20(27)24(19)25-28-21-11-10-18(14-22(21)29-25)23(30)13-15-8-9-16-4-1-2-5-17(16)12-15/h3,6-12,14H,1-2,4-5,13H2,(H,28,29)
InChIKeyUXNSHBKZIDBNRE-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.84
Rot. Bonds4

About 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone

1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (PubChem CID 58156366) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
PubChem CID58156366
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC Name1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCCC2)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C25H20Cl2N2O/c26-19-6-3-7-20(27)24(19)25-28-21-11-10-18(14-22(21)29-25)23(30)13-15-8-9-16-4-1-2-5-17(16)12-15/h3,6-12,14H,1-2,4-5,13H2,(H,28,29)
InChIKeyUXNSHBKZIDBNRE-UHFFFAOYSA-N
XLogP6.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-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
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-(3,4-dichlorophenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490584
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
N-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 25066173

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone (CID 58156366) is 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is O=C(Cc1ccc2c(c1)CCCC2)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
The InChIKey is UXNSHBKZIDBNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c26-19-6-3-7-20(27)24(19)25-28-21-11-10-18(14-22(21)29-25)23(30)13-15-8-9-16-4-1-2-5-17(16)12-15/h3,6-12,14H,1-2,4-5,13H2,(H,28,29).
What are the key properties of 1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone?
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone has a molecular weight of 435.35 g/mol, XLogP of 6.84, 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-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 58156366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).