1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione

C27H26N4OS — CID 133156430

IUPAC1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione
SMILESCc1c(C2C(c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n(-c2ccccc2)c1C
InChIInChI=1S/C27H26N4OS/c1-17-18(2)30(20-9-5-4-6-10-20)19(3)24(17)26-25(23-11-7-8-16-28-23)29-27(33)31(26)21-12-14-22(32)15-13-21/h4-16,25-26,32H,1-3H3,(H,29,33)
InChIKeyKHMANEPLYWCGJN-UHFFFAOYSA-N
MW454.60 g/mol
LogP5.68
Rot. Bonds4

About 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione

1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione (PubChem CID 133156430) has the molecular formula C27H26N4OS and a molecular weight of 454.60 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione
PubChem CID133156430
Molecular FormulaC27H26N4OS
Molecular Weight454.60 g/mol
Exact Mass454.18
IUPAC Name1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione
SMILESCc1c(C2C(c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n(-c2ccccc2)c1C
InChIInChI=1S/C27H26N4OS/c1-17-18(2)30(20-9-5-4-6-10-20)19(3)24(17)26-25(23-11-7-8-16-28-23)29-27(33)31(26)21-12-14-22(32)15-13-21/h4-16,25-26,32H,1-3H3,(H,29,33)
InChIKeyKHMANEPLYWCGJN-UHFFFAOYSA-N
XLogP5.68
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.60
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4S,5R)-4-pyridin-2-yl-2-sulfanylidene-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidin-1-yl]phenyl]methanesulfonamide
CID 100621789
2-phenoxy-N-[4-[(4S,5S)-4-pyridin-2-yl-2-sulfanylidene-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidin-1-yl]phenyl]acetamide
CID 100540262
N-[2-methoxy-5-[(4S,5R)-4-pyridin-2-yl-2-sulfanylidene-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidin-1-yl]phenyl]acetamide
CID 100596021
1-(5-chloro-2-hydroxyphenyl)-5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223950
N-[2-methoxy-4-[(4S,5S)-4-pyridin-2-yl-2-sulfanylidene-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidin-1-yl]phenyl]-2,2-dimethylpropanamide
CID 100546686
5-[1-(3-chlorophenyl)-2,4,5-trimethylpyrrol-3-yl]-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133243956
2-methoxy-N-[2-methoxy-5-[(4R,5R)-4-pyridin-2-yl-2-sulfanylidene-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidin-1-yl]phenyl]acetamide
CID 100590232
1-(4-bromophenyl)-5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182725
5-[1-[4-(dimethylamino)phenyl]-2,5-dimethylpyrrol-3-yl]-1-(4-hydroxyphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133156349
1-(4-ethoxyphenyl)-5-[1-(4-hydroxyphenyl)-2,5-dimethylpyrrol-3-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156176
1-(4-hydroxyphenyl)-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156385
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133156276

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione?
The IUPAC name of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione (CID 133156430) is 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione?
The canonical SMILES for 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione is Cc1c(C2C(c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n(-c2ccccc2)c1C.
What is the InChIKey of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione?
The InChIKey is KHMANEPLYWCGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4OS/c1-17-18(2)30(20-9-5-4-6-10-20)19(3)24(17)26-25(23-11-7-8-16-28-23)29-27(33)31(26)21-12-14-22(32)15-13-21/h4-16,25-26,32H,1-3H3,(H,29,33).
What are the key properties of 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione?
1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione has a molecular weight of 454.60 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-4-pyridin-2-yl-5-(2,4,5-trimethyl-1-phenylpyrrol-3-yl)imidazolidine-2-thione is sourced from PubChem (CID 133156430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).