1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone

C24H22N2OS — CID 4542824

IUPAC1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone
SMILESCc1cccc(-n2c(SCC(=O)c3cc(C)ccc3C)nc3ccccc32)c1
InChIInChI=1S/C24H22N2OS/c1-16-7-6-8-19(13-16)26-22-10-5-4-9-21(22)25-24(26)28-15-23(27)20-14-17(2)11-12-18(20)3/h4-14H,15H2,1-3H3
InChIKeyPJKMLLGMUANDNJ-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.93
Rot. Bonds5

About 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone

1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone (PubChem CID 4542824) has the molecular formula C24H22N2OS and a molecular weight of 386.52 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone
PubChem CID4542824
Molecular FormulaC24H22N2OS
Molecular Weight386.52 g/mol
Exact Mass386.15
IUPAC Name1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone
SMILESCc1cccc(-n2c(SCC(=O)c3cc(C)ccc3C)nc3ccccc32)c1
InChIInChI=1S/C24H22N2OS/c1-16-7-6-8-19(13-16)26-22-10-5-4-9-21(22)25-24(26)28-15-23(27)20-14-17(2)11-12-18(20)3/h4-14H,15H2,1-3H3
InChIKeyPJKMLLGMUANDNJ-UHFFFAOYSA-N
XLogP5.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 17437395
1-(3-methylphenyl)-2-[(4-methylphenyl)methylsulfanyl]benzimidazole
CID 4565636
(Z)-3-amino-2-[2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]but-2-enenitrile
CID 98604745
2-[2-[2-(difluoromethoxy)-5-methylphenyl]-2-oxoethyl]sulfanyl-3-(3-methylphenyl)quinazolin-4-one
CID 4967428
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]sulfanyl-3-(2-methoxy-5-methylphenyl)quinazolin-4-one
CID 2467319
1-(2,5-dimethylphenyl)-2-(4-methylquinolin-2-yl)sulfanylethanone
CID 4019313
1-(2,5-dimethylphenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethanone
CID 4544482
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855874
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 7855833
3-(2,4-dimethylphenyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylquinazolin-4-one
CID 5178415
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanone
CID 7855805
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-phenylbenzimidazol-2-yl)sulfanylethanone
CID 3991478

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone (CID 4542824) is 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone is Cc1cccc(-n2c(SCC(=O)c3cc(C)ccc3C)nc3ccccc32)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone?
The InChIKey is PJKMLLGMUANDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2OS/c1-16-7-6-8-19(13-16)26-22-10-5-4-9-21(22)25-24(26)28-15-23(27)20-14-17(2)11-12-18(20)3/h4-14H,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone?
1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone has a molecular weight of 386.52 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[1-(3-methylphenyl)benzimidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 4542824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).