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

C19H16ClN3S2 — CID 133181017

IUPAC1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2ccc(Cl)s2)N1Cc1ccccc1
InChIInChI=1S/C19H16ClN3S2/c20-16-10-9-15(25-16)18-17(14-8-4-5-11-21-14)22-19(24)23(18)12-13-6-2-1-3-7-13/h1-11,17-18H,12H2,(H,22,24)
InChIKeyMLSIKUKYPREDJY-UHFFFAOYSA-N
MW385.95 g/mol
LogP4.97
Rot. Bonds4

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

1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133181017) has the molecular formula C19H16ClN3S2 and a molecular weight of 385.95 g/mol. Its IUPAC name is 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133181017
Molecular FormulaC19H16ClN3S2
Molecular Weight385.95 g/mol
Exact Mass385.05
IUPAC Name1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2ccc(Cl)s2)N1Cc1ccccc1
InChIInChI=1S/C19H16ClN3S2/c20-16-10-9-15(25-16)18-17(14-8-4-5-11-21-14)22-19(24)23(18)12-13-6-2-1-3-7-13/h1-11,17-18H,12H2,(H,22,24)
InChIKeyMLSIKUKYPREDJY-UHFFFAOYSA-N
XLogP4.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.95
LogP ≤ 54.97
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

2-[(4R,5S)-5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100655520
1-benzyl-5-(4-bromothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133181019
5-(5-methylthiophen-2-yl)-4-pyridin-2-yl-1-(pyridin-3-ylmethyl)imidazolidine-2-thione
CID 133181162
4-pyridin-2-yl-1-(pyridin-4-ylmethyl)-5-thiophen-2-ylimidazolidine-2-thione
CID 133181528
5-(5-chlorothiophen-2-yl)-1-(3,4-dimethylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158132
3-[(4R,5S)-5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-methylphenyl)propanamide
CID 100720199
3-[(4R,5S)-5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-ethylphenyl)propanamide
CID 100672016
3-[(4R,5S)-5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 100713943
1-[(4-methoxyphenyl)methyl]-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133181185
1-benzyl-5-[1-(2-fluorophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181119
N-[4-[(4S,5S)-5-(5-chlorothiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-2-methylphenyl]methanesulfonamide
CID 100635334
1-benzyl-5-[5-(4-bromophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181144

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133181017) is 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2ccc(Cl)s2)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is MLSIKUKYPREDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3S2/c20-16-10-9-15(25-16)18-17(14-8-4-5-11-21-14)22-19(24)23(18)12-13-6-2-1-3-7-13/h1-11,17-18H,12H2,(H,22,24).
What are the key properties of 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 385.95 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(5-chlorothiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133181017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).