4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione

C10H16N2O2S — CID 66147198

IUPAC4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
SMILESCOC1CCCC1n1c(CO)c[nH]c1=S
InChIInChI=1S/C10H16N2O2S/c1-14-9-4-2-3-8(9)12-7(6-13)5-11-10(12)15/h5,8-9,13H,2-4,6H2,1H3,(H,11,15)
InChIKeyJBODEHNRIXWHAA-UHFFFAOYSA-N
MW228.32 g/mol
LogP1.78
Rot. Bonds3

About 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione

4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione (PubChem CID 66147198) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
PubChem CID66147198
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Name4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
SMILESCOC1CCCC1n1c(CO)c[nH]c1=S
InChIInChI=1S/C10H16N2O2S/c1-14-9-4-2-3-8(9)12-7(6-13)5-11-10(12)15/h5,8-9,13H,2-4,6H2,1H3,(H,11,15)
InChIKeyJBODEHNRIXWHAA-UHFFFAOYSA-N
XLogP1.78
TPSA50.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-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

3-(2-methoxycyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863750
4-(hydroxymethyl)-3-(oxolan-2-ylmethyl)-1H-imidazole-2-thione
CID 65809015
4-(hydroxymethyl)-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 66147398
3-(2-cyclopentyloxyethyl)-4-(hydroxymethyl)-1H-imidazole-2-thione
CID 66147615
4-(hydroxymethyl)-3-(1-methoxypentan-2-yl)-1H-imidazole-2-thione
CID 66148862
4-(hydroxymethyl)-3-[(2-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
CID 80197101
4-tert-butyl-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
CID 81335323
3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione
CID 81335440
4-ethyl-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
CID 81335441
3-(2-methoxycyclopentyl)-5-methyl-1H-imidazole-2-thione
CID 81335854
4-(hydroxymethyl)-3-(2-methyloxolan-3-yl)-1H-imidazole-2-thione
CID 82736699
4-(hydroxymethyl)-3-(3-methoxycyclopentyl)-1H-imidazole-2-thione
CID 105834578

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione?
The IUPAC name of 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione (CID 66147198) is 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione.
What is the SMILES notation for 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione?
The canonical SMILES for 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione is COC1CCCC1n1c(CO)c[nH]c1=S.
What is the InChIKey of 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione?
The InChIKey is JBODEHNRIXWHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-14-9-4-2-3-8(9)12-7(6-13)5-11-10(12)15/h5,8-9,13H,2-4,6H2,1H3,(H,11,15).
What are the key properties of 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione?
4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione has a molecular weight of 228.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione is sourced from PubChem (CID 66147198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).