N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

C22H23N5OS — CID 55471800

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NC(C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N5OS/c1-14-8-9-15(2)19(12-14)27-11-10-23-22(27)29-13-20(28)24-16(3)21-25-17-6-4-5-7-18(17)26-21/h4-12,16H,13H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyQHUWQKBBAOQCRK-UHFFFAOYSA-N
MW405.53 g/mol
LogP4.33
Rot. Bonds6

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (PubChem CID 55471800) has the molecular formula C22H23N5OS and a molecular weight of 405.53 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
PubChem CID55471800
Molecular FormulaC22H23N5OS
Molecular Weight405.53 g/mol
Exact Mass405.16
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)NC(C)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C22H23N5OS/c1-14-8-9-15(2)19(12-14)27-11-10-23-22(27)29-13-20(28)24-16(3)21-25-17-6-4-5-7-18(17)26-21/h4-12,16H,13H2,1-3H3,(H,24,28)(H,25,26)
InChIKeyQHUWQKBBAOQCRK-UHFFFAOYSA-N
XLogP4.33
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylacetamide
CID 60620348
N-[1-(2-methylphenyl)ethyl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 134028989
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 41259236
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[[5-(4-methylphenyl)-[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl]acetamide
CID 25300696
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 60519002
2-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzamide
CID 78797290
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18287729
N-[(3R)-2-methyl-4-oxopentan-3-yl]-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetamide
CID 94582080
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 18116309
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 73419906

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide (CID 55471800) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is Cc1ccc(C)c(-n2ccnc2SCC(=O)NC(C)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
The InChIKey is QHUWQKBBAOQCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5OS/c1-14-8-9-15(2)19(12-14)27-11-10-23-22(27)29-13-20(28)24-16(3)21-25-17-6-4-5-7-18(17)26-21/h4-12,16H,13H2,1-3H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide has a molecular weight of 405.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 55471800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).