N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide

C24H28N4OS — CID 18285209

IUPACN-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(-n2ccn(CN3CCC(NC(=O)c4ccccc4)CC3)c2=S)c1
InChIInChI=1S/C24H28N4OS/c1-18-8-9-19(2)22(16-18)28-15-14-27(24(28)30)17-26-12-10-21(11-13-26)25-23(29)20-6-4-3-5-7-20/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,25,29)
InChIKeyYFBLXOVJZCESTO-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.48
Rot. Bonds5

About N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide

N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide (PubChem CID 18285209) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide
PubChem CID18285209
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC NameN-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide
SMILESCc1ccc(C)c(-n2ccn(CN3CCC(NC(=O)c4ccccc4)CC3)c2=S)c1
InChIInChI=1S/C24H28N4OS/c1-18-8-9-19(2)22(16-18)28-15-14-27(24(28)30)17-26-12-10-21(11-13-26)25-23(29)20-6-4-3-5-7-20/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,25,29)
InChIKeyYFBLXOVJZCESTO-UHFFFAOYSA-N
XLogP4.48
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
CID 17466400
N-[1-[[4-(4-methylphenyl)-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-4-yl]benzamide
CID 26000617
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
N-[1-[(3-ethyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperidin-4-yl]benzamide
CID 26000412
N-[1-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 17461272
N-[1-[(3-sulfanylidene-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidin-4-yl]benzamide
CID 17479548
N-[1-[2-(3,4-dimethylphenyl)ethyl]piperidin-4-yl]benzamide
CID 21413261
N-[1-(benzimidazol-1-ylmethyl)piperidin-4-yl]benzamide
CID 18142091
N-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]benzamide
CID 33106364
N-[1-[3-(2,4-dimethylphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575452
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide (CID 18285209) is N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide is Cc1ccc(C)c(-n2ccn(CN3CCC(NC(=O)c4ccccc4)CC3)c2=S)c1.
What is the InChIKey of N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide?
The InChIKey is YFBLXOVJZCESTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-18-8-9-19(2)22(16-18)28-15-14-27(24(28)30)17-26-12-10-21(11-13-26)25-23(29)20-6-4-3-5-7-20/h3-9,14-16,21H,10-13,17H2,1-2H3,(H,25,29).
What are the key properties of N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide?
N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2,5-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 18285209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).