2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide

C22H27N3OS — CID 7855833

IUPAC2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C22H27N3OS/c1-15(2)24(16(3)4)21(26)14-27-22-23-19-8-6-7-9-20(19)25(22)18-12-10-17(5)11-13-18/h6-13,15-16H,14H2,1-5H3
InChIKeyRWBUDBGAOXWDMF-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.07
Rot. Bonds6

About 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide

2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (PubChem CID 7855833) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
PubChem CID7855833
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC Name2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nc3ccccc32)cc1
InChIInChI=1S/C22H27N3OS/c1-15(2)24(16(3)4)21(26)14-27-22-23-19-8-6-7-9-20(19)25(22)18-12-10-17(5)11-13-18/h6-13,15-16H,14H2,1-5H3
InChIKeyRWBUDBGAOXWDMF-UHFFFAOYSA-N
XLogP5.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 41117930
N-tert-butyl-2-[methyl-[2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetyl]amino]acetamide
CID 41298501
N-(1,1-dioxothiolan-3-yl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-phenylacetamide
CID 42985690
N-(2-hydroxyphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 155969389
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N-(prop-2-enylcarbamoyl)acetamide
CID 7855843
N-[(1S,2S)-2-methylcyclohexyl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855832
N-(2,3-dimethylphenyl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 7855874
(2R)-N-benzyl-N-methyl-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7855841
1-(2,3-dihydroindol-1-yl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanone
CID 7855887
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylacetamide
CID 11917689
(2S)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylpropanenitrile
CID 7855856
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanone
CID 7855805

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide (CID 7855833) is 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nc3ccccc32)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
The InChIKey is RWBUDBGAOXWDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-15(2)24(16(3)4)21(26)14-27-22-23-19-8-6-7-9-20(19)25(22)18-12-10-17(5)11-13-18/h6-13,15-16H,14H2,1-5H3.
What are the key properties of 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide?
2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide has a molecular weight of 381.55 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 7855833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).