1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone

C23H18Cl2N2OS — CID 3982798

IUPAC1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
SMILESO=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2OS/c24-18-11-10-17(14-19(18)25)22(28)15-29-23-26-20-8-4-5-9-21(20)27(23)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2
InChIKeyUCAPTAWKJPDYOP-UHFFFAOYSA-N
MW441.38 g/mol
LogP6.56
Rot. Bonds7

About 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone

1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone (PubChem CID 3982798) has the molecular formula C23H18Cl2N2OS and a molecular weight of 441.38 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
PubChem CID3982798
Molecular FormulaC23H18Cl2N2OS
Molecular Weight441.38 g/mol
Exact Mass440.05
IUPAC Name1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
SMILESO=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H18Cl2N2OS/c24-18-11-10-17(14-19(18)25)22(28)15-29-23-26-20-8-4-5-9-21(20)27(23)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2
InChIKeyUCAPTAWKJPDYOP-UHFFFAOYSA-N
XLogP6.56
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.38
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,6-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 4850532
N-(3,5-dichloro-2-pyridinyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 4574320
1-(3,4-dimethoxyphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4267164
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(3,4-dimethoxyphenyl)ethanone
CID 3124397
2-(1-butylbenzimidazol-2-yl)sulfanyl-1-(4-methylphenyl)ethanone;hydrobromide
CID 163332838
3-cyclopropyl-2-[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 9381565
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
1-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 16505786
1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone
CID 25424204
N-(2-acetylphenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 18282785
ethyl 2,4-dimethyl-5-[2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylacetyl]-1H-pyrrole-3-carboxylate
CID 4075099
1-(1,3-benzodioxol-5-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethanone
CID 4883677

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone (CID 3982798) is 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone is O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone?
The InChIKey is UCAPTAWKJPDYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18Cl2N2OS/c24-18-11-10-17(14-19(18)25)22(28)15-29-23-26-20-8-4-5-9-21(20)27(23)13-12-16-6-2-1-3-7-16/h1-11,14H,12-13,15H2.
What are the key properties of 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone?
1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone has a molecular weight of 441.38 g/mol, XLogP of 6.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 3982798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).