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

C10H16N2OS — CID 81335440

IUPAC3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione
SMILESCOC1CCCC1n1c(C)c[nH]c1=S
InChIInChI=1S/C10H16N2OS/c1-7-6-11-10(14)12(7)8-4-3-5-9(8)13-2/h6,8-9H,3-5H2,1-2H3,(H,11,14)
InChIKeySOWPSVJBXTWXDE-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.59
Rot. Bonds2

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

3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione (PubChem CID 81335440) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione
PubChem CID81335440
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione
SMILESCOC1CCCC1n1c(C)c[nH]c1=S
InChIInChI=1S/C10H16N2OS/c1-7-6-11-10(14)12(7)8-4-3-5-9(8)13-2/h6,8-9H,3-5H2,1-2H3,(H,11,14)
InChIKeySOWPSVJBXTWXDE-UHFFFAOYSA-N
XLogP2.59
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.59
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

3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
CID 62087183
3-[1-(oxolan-2-yl)ethyl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64862976
3-(oxolan-2-ylmethyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863155
3-(2-methoxycyclopentyl)-4-propan-2-yl-1H-imidazole-2-thione
CID 64863750
4-(hydroxymethyl)-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
CID 66147198
4-methyl-3-[(2-methyloxolan-2-yl)methyl]-1H-imidazole-2-thione
CID 81334763
4-methyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334816
4-ethyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81334935
3-(1-methoxypentan-2-yl)-4-methyl-1H-imidazole-2-thione
CID 81334990
4-ethyl-3-(1-methoxypentan-2-yl)-1H-imidazole-2-thione
CID 81334991
5-methyl-3-[1-(oxolan-2-yl)ethyl]-1H-imidazole-2-thione
CID 81335022
4-tert-butyl-3-(2-methoxycyclopentyl)-1H-imidazole-2-thione
CID 81335323

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione?
The IUPAC name of 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione (CID 81335440) is 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione.
What is the SMILES notation for 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione?
The canonical SMILES for 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione is COC1CCCC1n1c(C)c[nH]c1=S.
What is the InChIKey of 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione?
The InChIKey is SOWPSVJBXTWXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-6-11-10(14)12(7)8-4-3-5-9(8)13-2/h6,8-9H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione?
3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione has a molecular weight of 212.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxycyclopentyl)-4-methyl-1H-imidazole-2-thione is sourced from PubChem (CID 81335440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).