1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C19H17ClN4S — CID 133182638

IUPAC1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C19H17ClN4S/c1-12-5-10-16(22-12)18-17(15-4-2-3-11-21-15)23-19(25)24(18)14-8-6-13(20)7-9-14/h2-11,17-18,22H,1H3,(H,23,25)
InChIKeyVEOCDMKTLFRGJR-UHFFFAOYSA-N
MW368.89 g/mol
LogP4.55
Rot. Bonds3

About 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133182638) has the molecular formula C19H17ClN4S and a molecular weight of 368.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133182638
Molecular FormulaC19H17ClN4S
Molecular Weight368.89 g/mol
Exact Mass368.09
IUPAC Name1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1
InChIInChI=1S/C19H17ClN4S/c1-12-5-10-16(22-12)18-17(15-4-2-3-11-21-15)23-19(25)24(18)14-8-6-13(20)7-9-14/h2-11,17-18,22H,1H3,(H,23,25)
InChIKeyVEOCDMKTLFRGJR-UHFFFAOYSA-N
XLogP4.55
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S,5R)-1-(4-fluoro-3-methylphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100503713
(4R,5R)-5-(5-methyl-1H-pyrrol-2-yl)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100602901
(4S,5S)-1-(4-cyclopentyloxyphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100609884
(4R,5S)-1-(4-cyclopentyloxyphenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100609903
N-[2-chloro-4-[(4R,5S)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100552812
5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157861
N-[2-chloro-4-[(4S,5S)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methoxyacetamide
CID 100577932
1-(4-chlorophenyl)-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182587
1-cyclohexyl-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222843
N-[2-methoxy-4-[(4R,5R)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100633874
5-(5-methyl-1H-pyrrol-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222005
1-(4-chlorophenyl)-5-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182549

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133182638) is 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(C2C(c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)[nH]1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is VEOCDMKTLFRGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4S/c1-12-5-10-16(22-12)18-17(15-4-2-3-11-21-15)23-19(25)24(18)14-8-6-13(20)7-9-14/h2-11,17-18,22H,1H3,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 368.89 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(5-methyl-1H-pyrrol-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133182638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).