1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C19H16BrN3S2 — CID 133181019

IUPAC1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cc(Br)cs2)N1Cc1ccccc1
InChIInChI=1S/C19H16BrN3S2/c20-14-10-16(25-12-14)18-17(15-8-4-5-9-21-15)22-19(24)23(18)11-13-6-2-1-3-7-13/h1-10,12,17-18H,11H2,(H,22,24)
InChIKeyKQKADZZBKIELCK-UHFFFAOYSA-N
MW430.40 g/mol
LogP5.08
Rot. Bonds4

About 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133181019) has the molecular formula C19H16BrN3S2 and a molecular weight of 430.40 g/mol. Its IUPAC name is 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133181019
Molecular FormulaC19H16BrN3S2
Molecular Weight430.40 g/mol
Exact Mass429.00
IUPAC Name1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cc(Br)cs2)N1Cc1ccccc1
InChIInChI=1S/C19H16BrN3S2/c20-14-10-16(25-12-14)18-17(15-8-4-5-9-21-15)22-19(24)23(18)11-13-6-2-1-3-7-13/h1-10,12,17-18H,11H2,(H,22,24)
InChIKeyKQKADZZBKIELCK-UHFFFAOYSA-N
XLogP5.08
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.40
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione 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

5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181646
5-(4-bromothiophen-2-yl)-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221859
5-(4-bromothiophen-2-yl)-1-butyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133222187
5-(4-bromothiophen-2-yl)-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221350
1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181017
(4S,5S)-5-(4-bromothiophen-2-yl)-1-[[(2R)-oxolan-2-yl]methyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 125076560
4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
CID 133181528
(4R,5R)-5-(4-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522494
(4S,5S)-5-(4-bromothiophen-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100522485
1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181144
3-[5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(4-methylphenyl)propanamide
CID 133218499
3-[5-(4-bromothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-methylphenyl)propanamide
CID 133209572

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133181019) is 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2cc(Br)cs2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is KQKADZZBKIELCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3S2/c20-14-10-16(25-12-14)18-17(15-8-4-5-9-21-15)22-19(24)23(18)11-13-6-2-1-3-7-13/h1-10,12,17-18H,11H2,(H,22,24).
What are the key properties of 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 430.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133181019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).