N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide

C25H22N6OS — CID 133156786

IUPACN-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccccn2)cc1
InChIInChI=1S/C25H22N6OS/c1-17(32)28-18-10-12-19(13-11-18)31-24(23(29-25(31)33)20-7-2-4-14-26-20)21-8-6-16-30(21)22-9-3-5-15-27-22/h2-16,23-24H,1H3,(H,28,32)(H,29,33)
InChIKeyMICFOIFVKCOSOV-UHFFFAOYSA-N
MW454.56 g/mol
LogP4.40
Rot. Bonds5

About N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide

N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide (PubChem CID 133156786) has the molecular formula C25H22N6OS and a molecular weight of 454.56 g/mol. Its IUPAC name is N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
PubChem CID133156786
Molecular FormulaC25H22N6OS
Molecular Weight454.56 g/mol
Exact Mass454.16
IUPAC NameN-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccccn2)cc1
InChIInChI=1S/C25H22N6OS/c1-17(32)28-18-10-12-19(13-11-18)31-24(23(29-25(31)33)20-7-2-4-14-26-20)21-8-6-16-30(21)22-9-3-5-15-27-22/h2-16,23-24H,1H3,(H,28,32)(H,29,33)
InChIKeyMICFOIFVKCOSOV-UHFFFAOYSA-N
XLogP4.40
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.56
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]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-[5-(1-phenylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 133156885
2-phenoxy-N-[4-[(4R,5R)-4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100534816
N-[4-[5-(1-cyclopentylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 133156820
N-[2-methyl-4-[(4R,5S)-4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100553737
2-methoxy-N-[4-[(4S,5R)-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100570101
N-[4-[(4S,5R)-5-[1-(4-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100570296
N-[2-chloro-4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 133242551
1-(4-phenoxyphenyl)-4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133183333
2-methoxy-N-[4-[(4S,5S)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100566500
2-methoxy-N-[4-[(4S,5S)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide
CID 100570076
(4R,5R)-1-(4-bromo-3-methylphenyl)-4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100504599
N-[4-[5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 133243187

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?
The IUPAC name of N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide (CID 133156786) is N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide is CC(=O)Nc1ccc(N2C(=S)NC(c3ccccn3)C2c2cccn2-c2ccccn2)cc1.
What is the InChIKey of N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?
The InChIKey is MICFOIFVKCOSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6OS/c1-17(32)28-18-10-12-19(13-11-18)31-24(23(29-25(31)33)20-7-2-4-14-26-20)21-8-6-16-30(21)22-9-3-5-15-27-22/h2-16,23-24H,1H3,(H,28,32)(H,29,33).
What are the key properties of N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide?
N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide has a molecular weight of 454.56 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-pyridin-2-yl-5-(1-pyridin-2-ylpyrrol-2-yl)-2-sulfanylideneimidazolidin-1-yl]phenyl]acetamide is sourced from PubChem (CID 133156786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).