1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione

C21H21FN4S — CID 133182373

IUPAC1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C
InChIInChI=1S/C21H21FN4S/c1-13-12-15(14(2)25(13)3)20-19(17-9-6-7-11-23-17)24-21(27)26(20)18-10-5-4-8-16(18)22/h4-12,19-20H,1-3H3,(H,24,27)
InChIKeyRRVMOGHZRXKNAJ-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.35
Rot. Bonds3

About 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione

1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione (PubChem CID 133182373) has the molecular formula C21H21FN4S and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
PubChem CID133182373
Molecular FormulaC21H21FN4S
Molecular Weight380.49 g/mol
Exact Mass380.15
IUPAC Name1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
SMILESCc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C
InChIInChI=1S/C21H21FN4S/c1-13-12-15(14(2)25(13)3)20-19(17-9-6-7-11-23-17)24-21(27)26(20)18-10-5-4-8-16(18)22/h4-12,19-20H,1-3H3,(H,24,27)
InChIKeyRRVMOGHZRXKNAJ-UHFFFAOYSA-N
XLogP4.35
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.35
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-(2-fluorophenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182389
5-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182381
5-[1-(4-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182394
1-(3,5-dimethylphenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133158428
1-(3-methylphenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione
CID 133158004
5-[2,5-dimethyl-1-(4-morpholin-4-ylphenyl)pyrrol-3-yl]-1-(2-fluorophenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133182339
(4R,5S)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100598962
5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-1-(4-morpholin-4-ylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156670
1-(3-chloro-4-methoxyphenyl)-5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133224491
N-[4-[(4S,5S)-4-pyridin-2-yl-2-sulfanylidene-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidin-1-yl]phenyl]methanesulfonamide
CID 100613340
(4R,5R)-1-(4-fluoro-3-methylphenyl)-5-[1-(2-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100500659
N-[4-[5-[1-(2-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133244338

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
The IUPAC name of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione (CID 133182373) is 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
The canonical SMILES for 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione is Cc1cc(C2C(c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C.
What is the InChIKey of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
The InChIKey is RRVMOGHZRXKNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4S/c1-13-12-15(14(2)25(13)3)20-19(17-9-6-7-11-23-17)24-21(27)26(20)18-10-5-4-8-16(18)22/h4-12,19-20H,1-3H3,(H,24,27).
What are the key properties of 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione?
1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione has a molecular weight of 380.49 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-pyridin-2-yl-5-(1,2,5-trimethylpyrrol-3-yl)imidazolidine-2-thione is sourced from PubChem (CID 133182373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).