N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide

C24H23N3OS — CID 46328935

IUPACN-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide
SMILESCn1c(CCc2ccccc2)nc2cc(NC(=O)CSc3ccccc3)ccc21
InChIInChI=1S/C24H23N3OS/c1-27-22-14-13-19(25-24(28)17-29-20-10-6-3-7-11-20)16-21(22)26-23(27)15-12-18-8-4-2-5-9-18/h2-11,13-14,16H,12,15,17H2,1H3,(H,25,28)
InChIKeyPDPLKKBYOGCLGJ-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.09
Rot. Bonds7

About N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide (PubChem CID 46328935) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide
PubChem CID46328935
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide
SMILESCn1c(CCc2ccccc2)nc2cc(NC(=O)CSc3ccccc3)ccc21
InChIInChI=1S/C24H23N3OS/c1-27-22-14-13-19(25-24(28)17-29-20-10-6-3-7-11-20)16-21(22)26-23(27)15-12-18-8-4-2-5-9-18/h2-11,13-14,16H,12,15,17H2,1H3,(H,25,28)
InChIKeyPDPLKKBYOGCLGJ-UHFFFAOYSA-N
XLogP5.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328940
2-(4-methoxyphenyl)-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]acetamide
CID 46328909
4-methoxy-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328919
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-(trifluoromethyl)benzamide
CID 46328944
3-chloro-4-fluoro-N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]benzamide
CID 46328945
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 20933815
1-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-3-phenylurea
CID 46382333
N-[1-methyl-2-[[methyl(propan-2-ylcarbamoyl)amino]methyl]benzimidazol-5-yl]-3-phenylpropanamide
CID 52901844
N-[2-[1-methyl-5-(phenylcarbamoylamino)benzimidazol-2-yl]ethyl]propanamide
CID 4890018
N-[2-[(4-benzylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]-2-phenoxyacetamide
CID 23611196
N-[3-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]-2-(4-methylphenyl)acetamide
CID 50784494
N-[2-[2-(4-benzylpiperazin-1-yl)ethyl]-1-methylbenzimidazol-5-yl]-4-methylbenzamide
CID 4888721

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide?
The IUPAC name of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide (CID 46328935) is N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide?
The canonical SMILES for N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide is Cn1c(CCc2ccccc2)nc2cc(NC(=O)CSc3ccccc3)ccc21.
What is the InChIKey of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide?
The InChIKey is PDPLKKBYOGCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-27-22-14-13-19(25-24(28)17-29-20-10-6-3-7-11-20)16-21(22)26-23(27)15-12-18-8-4-2-5-9-18/h2-11,13-14,16H,12,15,17H2,1H3,(H,25,28).
What are the key properties of N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide?
N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide has a molecular weight of 401.54 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-phenylethyl)benzimidazol-5-yl]-2-phenylsulfanylacetamide is sourced from PubChem (CID 46328935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).