2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide

C20H27N3OS — CID 7250949

IUPAC2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
SMILESCc1[nH]c(SCC(=O)NC2CCCCCC2)nc1Cc1ccccc1
InChIInChI=1S/C20H27N3OS/c1-15-18(13-16-9-5-4-6-10-16)23-20(21-15)25-14-19(24)22-17-11-7-2-3-8-12-17/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyZLOWLJKITPLBFP-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.24
Rot. Bonds6

About 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide

2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide (PubChem CID 7250949) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
PubChem CID7250949
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
SMILESCc1[nH]c(SCC(=O)NC2CCCCCC2)nc1Cc1ccccc1
InChIInChI=1S/C20H27N3OS/c1-15-18(13-16-9-5-4-6-10-16)23-20(21-15)25-14-19(24)22-17-11-7-2-3-8-12-17/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,21,23)(H,22,24)
InChIKeyZLOWLJKITPLBFP-UHFFFAOYSA-N
XLogP4.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
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N-cyclohexyl-2-[3-[(4-fluorophenyl)methyl]quinoxalin-2-yl]sulfanylacetamide
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2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
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2-[(6-benzyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-cyclooctylacetamide
CID 22422933
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(2,4-dimethylphenoxy)ethyl]acetamide
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4-benzyl-5-methyl-2-[[(2R)-oxan-2-yl]methylsulfanyl]-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide (CID 7250949) is 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide is Cc1[nH]c(SCC(=O)NC2CCCCCC2)nc1Cc1ccccc1.
What is the InChIKey of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The InChIKey is ZLOWLJKITPLBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-15-18(13-16-9-5-4-6-10-16)23-20(21-15)25-14-19(24)22-17-11-7-2-3-8-12-17/h4-6,9-10,17H,2-3,7-8,11-14H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide has a molecular weight of 357.52 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide is sourced from PubChem (CID 7250949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).