2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide

C19H23N5OS — CID 86977798

IUPAC2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C19H23N5OS/c1-15-10-16(2)12-17(11-15)24-9-6-22-19(24)26-13-18(25)21-4-3-7-23-8-5-20-14-23/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,21,25)
InChIKeyXZWCWTIYCCTBBC-UHFFFAOYSA-N
MW369.49 g/mol
LogP2.98
Rot. Bonds8

About 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide (PubChem CID 86977798) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
PubChem CID86977798
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC Name2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide
SMILESCc1cc(C)cc(-n2ccnc2SCC(=O)NCCCn2ccnc2)c1
InChIInChI=1S/C19H23N5OS/c1-15-10-16(2)12-17(11-15)24-9-6-22-19(24)26-13-18(25)21-4-3-7-23-8-5-20-14-23/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,21,25)
InChIKeyXZWCWTIYCCTBBC-UHFFFAOYSA-N
XLogP2.98
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-ethylacetamide
CID 30803081
3-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-N-propan-2-ylpropanamide
CID 55599705
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylethyl)acetamide
CID 4166755
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 40669999
N-(3,4-dichlorophenyl)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 4119321
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 51488308
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(1-methoxypropan-2-yl)acetamide
CID 24578161
2-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569804
2-chloro-N-(4-imidazol-1-ylbutyl)acetamide;hydrochloride
CID 146083026
2-(4-imidazol-1-ylbutylcarbamoylamino)-N-(2,4,6-trimethylphenyl)acetamide
CID 55924710
N-(3-imidazol-1-ylpropyl)-4-(4-methylphenoxy)butanamide
CID 21367237

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide (CID 86977798) is 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide is Cc1cc(C)cc(-n2ccnc2SCC(=O)NCCCn2ccnc2)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
The InChIKey is XZWCWTIYCCTBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5OS/c1-15-10-16(2)12-17(11-15)24-9-6-22-19(24)26-13-18(25)21-4-3-7-23-8-5-20-14-23/h5-6,8-12,14H,3-4,7,13H2,1-2H3,(H,21,25).
What are the key properties of 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide?
2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide has a molecular weight of 369.49 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-imidazol-1-ylpropyl)acetamide is sourced from PubChem (CID 86977798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).