N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide

C26H25N5O2S — CID 16764489

IUPACN-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c(SCC(=O)Nc2[nH]c(Cc3ccccc3)c(C)c2C#N)nc1Cc1ccc(O)cc1
InChIInChI=1S/C26H25N5O2S/c1-16-21(14-27)25(29-22(16)12-18-6-4-3-5-7-18)31-24(33)15-34-26-28-17(2)23(30-26)13-19-8-10-20(32)11-9-19/h3-11,29,32H,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
InChIKeyJNLQKLGKWHTJML-UHFFFAOYSA-N
MW471.59 g/mol
LogP4.84
Rot. Bonds8

About N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide

N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide (PubChem CID 16764489) has the molecular formula C26H25N5O2S and a molecular weight of 471.59 g/mol. Its IUPAC name is N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide
PubChem CID16764489
Molecular FormulaC26H25N5O2S
Molecular Weight471.59 g/mol
Exact Mass471.17
IUPAC NameN-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide
SMILESCc1[nH]c(SCC(=O)Nc2[nH]c(Cc3ccccc3)c(C)c2C#N)nc1Cc1ccc(O)cc1
InChIInChI=1S/C26H25N5O2S/c1-16-21(14-27)25(29-22(16)12-18-6-4-3-5-7-18)31-24(33)15-34-26-28-17(2)23(30-26)13-19-8-10-20(32)11-9-19/h3-11,29,32H,12-13,15H2,1-2H3,(H,28,30)(H,31,33)
InChIKeyJNLQKLGKWHTJML-UHFFFAOYSA-N
XLogP4.84
TPSA117.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.59
LogP ≤ 54.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 17017890
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 7250827
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(5-chloro-2-pyridinyl)acetamide
CID 6472561
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7250950
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(3-methylbutan-2-yl)acetamide
CID 42982161
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 7250927
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[4-(difluoromethoxy)phenyl]acetamide
CID 40524641
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
CID 7250949
3-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 30150069
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-[(2-fluorophenyl)methyl]acetamide
CID 17404499
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-methylpropylcarbamoyl)acetamide
CID 40524672
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-N-(2-thiophen-2-ylethyl)acetamide
CID 28594540

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide (CID 16764489) is N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide is Cc1[nH]c(SCC(=O)Nc2[nH]c(Cc3ccccc3)c(C)c2C#N)nc1Cc1ccc(O)cc1.
What is the InChIKey of N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide?
The InChIKey is JNLQKLGKWHTJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2S/c1-16-21(14-27)25(29-22(16)12-18-6-4-3-5-7-18)31-24(33)15-34-26-28-17(2)23(30-26)13-19-8-10-20(32)11-9-19/h3-11,29,32H,12-13,15H2,1-2H3,(H,28,30)(H,31,33).
What are the key properties of N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide?
N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide has a molecular weight of 471.59 g/mol, XLogP of 4.84, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-3-cyano-4-methyl-1H-pyrrol-2-yl)-2-[[4-[(4-hydroxyphenyl)methyl]-5-methyl-1H-imidazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 16764489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).