4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione

C12H18N4S2 — CID 12676715

IUPAC4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione
SMILESCCCC(Cc1c[nH]c(=S)[nH]1)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C12H18N4S2/c1-2-3-8(4-9-6-13-11(17)15-9)5-10-7-14-12(18)16-10/h6-8H,2-5H2,1H3,(H2,13,15,17)(H2,14,16,18)
InChIKeyAEWSOFGRIKATKI-UHFFFAOYSA-N
MW282.44 g/mol
LogP3.66
Rot. Bonds6

About 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione

4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione (PubChem CID 12676715) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione
PubChem CID12676715
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione
SMILESCCCC(Cc1c[nH]c(=S)[nH]1)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C12H18N4S2/c1-2-3-8(4-9-6-13-11(17)15-9)5-10-7-14-12(18)16-10/h6-8H,2-5H2,1H3,(H2,13,15,17)(H2,14,16,18)
InChIKeyAEWSOFGRIKATKI-UHFFFAOYSA-N
XLogP3.66
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 53.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione with MolForge

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Related Compounds

4-[(3-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 11506623
2H-Imidazole-2-thione, 4-[(3-ethyl-2-cyclopenten-1-YL)methyl]-1,3-dihydro-
CID 11637074
4-(3-Cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
CID 15712812
4-(1-Methylcyclopentyl)-1,3-dihydroimidazole-2-thione
CID 20361632
4-Cyclohexyl-1,3-dihydroimidazole-2-thione
CID 20361654
4-Pentan-3-yl-1,3-dihydroimidazole-2-thione
CID 20361671
4-[[2-(2-Methylpropyl)cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 21986209
4-[[2-[(E)-prop-1-enyl]cyclopent-2-en-1-yl]methyl]-1,3-dihydroimidazole-2-thione
CID 23549524
4-[(2-Methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
CID 59679583
4-[(4-Methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
CID 70670394
4-Cyclopentyl-1,3-dihydroimidazole-2-thione
CID 79006683
4-(Cyclopent-2-en-1-ylmethyl)-1,3-dihydroimidazole-2-thione
CID 87693755

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione (CID 12676715) is 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione is CCCC(Cc1c[nH]c(=S)[nH]1)Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is AEWSOFGRIKATKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-2-3-8(4-9-6-13-11(17)15-9)5-10-7-14-12(18)16-10/h6-8H,2-5H2,1H3,(H2,13,15,17)(H2,14,16,18).
What are the key properties of 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione?
4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 282.44 g/mol, XLogP of 3.66, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-sulfanylidene-1,3-dihydroimidazol-4-yl)methyl]pentyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 12676715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).