6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione

C12H18N2S — CID 134368074

IUPAC6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
SMILESS=c1[nH]cc2n1CC(C1CCCCC1)C2
InChIInChI=1S/C12H18N2S/c15-12-13-7-11-6-10(8-14(11)12)9-4-2-1-3-5-9/h7,9-10H,1-6,8H2,(H,13,15)
InChIKeyURJCPWWAKQFTRX-UHFFFAOYSA-N
MW222.36 g/mol
LogP3.30
Rot. Bonds1

About 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione

6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione (PubChem CID 134368074) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione.

Molecular Properties

Compound Name6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
PubChem CID134368074
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Name6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione
SMILESS=c1[nH]cc2n1CC(C1CCCCC1)C2
InChIInChI=1S/C12H18N2S/c15-12-13-7-11-6-10(8-14(11)12)9-4-2-1-3-5-9/h7,9-10H,1-6,8H2,(H,13,15)
InChIKeyURJCPWWAKQFTRX-UHFFFAOYSA-N
XLogP3.30
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Cyclohexylpropyl)-1,3-dihydroimidazole-2-thione
CID 15712812
4-[(4-Methylidenecyclohexyl)methyl]-1,3-dihydroimidazole-2-thione
CID 70670394
4-cyclohexyl-3-methyl-1H-imidazole-2-thione
CID 123758189
4-(Cyclohexylmethyl)-1,3-dihydroimidazole-2-thione
CID 129928907
6-cyclohexyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3-thiol
CID 134376953
4-(3-Propylheptan-2-yl)-1,3-dihydroimidazole-2-thione
CID 143389054
2-[2-[[(1R)-1-cyclohexylethyl]amino]ethyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-3-thione
CID 156632478
3-(2-ethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862782
3-(1-methylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862787
3-(4-ethylcyclohexyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64862980
3-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64863746
3-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64864147

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The IUPAC name of 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione (CID 134368074) is 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione.
What is the SMILES notation for 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The canonical SMILES for 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione is S=c1[nH]cc2n1CC(C1CCCCC1)C2.
What is the InChIKey of 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
The InChIKey is URJCPWWAKQFTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S/c15-12-13-7-11-6-10(8-14(11)12)9-4-2-1-3-5-9/h7,9-10H,1-6,8H2,(H,13,15).
What are the key properties of 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione?
6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione has a molecular weight of 222.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2,5,6,7-tetrahydropyrrolo[1,2-c]imidazole-3-thione is sourced from PubChem (CID 134368074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).