N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

C20H21N3OS — CID 7151026

IUPACN-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H21N3OS/c1-16-7-9-18(10-8-16)14-23-12-11-21-20(23)25-15-19(24)22-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,24)
InChIKeyJCGKIIYDWICAFH-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.65
Rot. Bonds7

About N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide

N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (PubChem CID 7151026) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
PubChem CID7151026
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide
SMILESCc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2)cc1
InChIInChI=1S/C20H21N3OS/c1-16-7-9-18(10-8-16)14-23-12-11-21-20(23)25-15-19(24)22-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,24)
InChIKeyJCGKIIYDWICAFH-UHFFFAOYSA-N
XLogP3.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide (CID 7151026) is N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is Cc1ccc(Cn2ccnc2SCC(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
The InChIKey is JCGKIIYDWICAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-16-7-9-18(10-8-16)14-23-12-11-21-20(23)25-15-19(24)22-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,22,24).
What are the key properties of N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide?
N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide has a molecular weight of 351.48 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetamide is sourced from PubChem (CID 7151026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).