4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole

C10H15ClN2S — CID 130482764

IUPAC4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole
SMILESCSC1CCC(n2cnc(CCl)c2)C1
InChIInChI=1S/C10H15ClN2S/c1-14-10-3-2-9(4-10)13-6-8(5-11)12-7-13/h6-7,9-10H,2-5H2,1H3
InChIKeyRZIUYDUGBZRHIN-UHFFFAOYSA-N
MW230.76 g/mol
LogP3.08
Rot. Bonds3

About 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole

4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole (PubChem CID 130482764) has the molecular formula C10H15ClN2S and a molecular weight of 230.76 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole
PubChem CID130482764
Molecular FormulaC10H15ClN2S
Molecular Weight230.76 g/mol
Exact Mass230.06
IUPAC Name4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole
SMILESCSC1CCC(n2cnc(CCl)c2)C1
InChIInChI=1S/C10H15ClN2S/c1-14-10-3-2-9(4-10)13-6-8(5-11)12-7-13/h6-7,9-10H,2-5H2,1H3
InChIKeyRZIUYDUGBZRHIN-UHFFFAOYSA-N
XLogP3.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.76
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(3-methylsulfanylcyclopentyl)imidazol-4-yl]methyl]ethanamine
CID 114204651
3-[4-(chloromethyl)imidazol-1-yl]thiolane 1,1-dioxide
CID 106720693
4-(chloromethyl)-1-(2,2-dimethyloxan-4-yl)imidazole
CID 130482376
1-(2-bicyclo[2.2.2]octanyl)-4-(chloromethyl)imidazole
CID 130978786
(1-cyclopropylimidazol-4-yl)methanol
CID 126974076
4-ethyl-1-(4-fluorocyclohexyl)imidazole
CID 168900429
(1-cyclopentylimidazol-4-yl)methanol
CID 130482080
2-(2-chloroethyl)-3-(3-methylsulfanylcyclopentyl)imidazo[4,5-b]pyridine
CID 114123296
N-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]propan-2-amine
CID 114204550
[1-(oxan-4-yl)imidazol-4-yl]methanamine
CID 130481927
1-(1-cyclohexylimidazol-4-yl)propan-2-amine
CID 83883478
3-[4-(bromomethyl)imidazol-1-yl]thiolane 1,1-dioxide
CID 130482670

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole?
The IUPAC name of 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole (CID 130482764) is 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole?
The canonical SMILES for 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole is CSC1CCC(n2cnc(CCl)c2)C1.
What is the InChIKey of 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole?
The InChIKey is RZIUYDUGBZRHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2S/c1-14-10-3-2-9(4-10)13-6-8(5-11)12-7-13/h6-7,9-10H,2-5H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole?
4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole has a molecular weight of 230.76 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-methylsulfanylcyclopentyl)imidazole is sourced from PubChem (CID 130482764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).