1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C21H22N4S — CID 133158466

IUPAC1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C)cc(N2C(=S)NC(c3ccccn3)C2c2cccn2C)c1
InChIInChI=1S/C21H22N4S/c1-14-11-15(2)13-16(12-14)25-20(18-8-6-10-24(18)3)19(23-21(25)26)17-7-4-5-9-22-17/h4-13,19-20H,1-3H3,(H,23,26)
InChIKeySREGEWQFZWNMQQ-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.21
Rot. Bonds3

About 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133158466) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133158466
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC Name1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1cc(C)cc(N2C(=S)NC(c3ccccn3)C2c2cccn2C)c1
InChIInChI=1S/C21H22N4S/c1-14-11-15(2)13-16(12-14)25-20(18-8-6-10-24(18)3)19(23-21(25)26)17-7-4-5-9-22-17/h4-13,19-20H,1-3H3,(H,23,26)
InChIKeySREGEWQFZWNMQQ-UHFFFAOYSA-N
XLogP4.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethylphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133162526
(4R,5R)-1-(4-bromo-3-methylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100507763
1-[4-(dimethylamino)phenyl]-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156539
1-(3,5-dimethylphenyl)-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158480
(4R,5S)-5-(1-methylpyrrol-2-yl)-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 54776406
1-(3,5-dimethylphenyl)-5-[1-(4-nitrophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158485
(4S,5R)-1-(3,5-dimethylphenyl)-5-[1-[[(2R)-oxolan-2-yl]methyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125080668
5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158108
1-(4-methylphenyl)-5-(1-phenylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157895
1-(4-methylphenyl)-5-(1-propan-2-ylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157893
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158078
N-[2-methoxy-5-[(4S,5S)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100651133

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133158466) is 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1cc(C)cc(N2C(=S)NC(c3ccccn3)C2c2cccn2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is SREGEWQFZWNMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-14-11-15(2)13-16(12-14)25-20(18-8-6-10-24(18)3)19(23-21(25)26)17-7-4-5-9-22-17/h4-13,19-20H,1-3H3,(H,23,26).
What are the key properties of 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 362.50 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-5-(1-methylpyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133158466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).