5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole

C11H13ClN2S — CID 106005568

IUPAC5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
SMILESCCc1ccc(Cn2cncc2CCl)s1
InChIInChI=1S/C11H13ClN2S/c1-2-10-3-4-11(15-10)7-14-8-13-6-9(14)5-12/h3-4,6,8H,2,5,7H2,1H3
InChIKeyLCSMFNQCLKTYGX-UHFFFAOYSA-N
MW240.76 g/mol
LogP3.29
Rot. Bonds4

About 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole

5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole (PubChem CID 106005568) has the molecular formula C11H13ClN2S and a molecular weight of 240.76 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
PubChem CID106005568
Molecular FormulaC11H13ClN2S
Molecular Weight240.76 g/mol
Exact Mass240.05
IUPAC Name5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
SMILESCCc1ccc(Cn2cncc2CCl)s1
InChIInChI=1S/C11H13ClN2S/c1-2-10-3-4-11(15-10)7-14-8-13-6-9(14)5-12/h3-4,6,8H,2,5,7H2,1H3
InChIKeyLCSMFNQCLKTYGX-UHFFFAOYSA-N
XLogP3.29
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.76
LogP ≤ 53.29
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

5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
CID 66150644
1-(5-ethylthiophen-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106009505
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748
6-chloro-3-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-4-one
CID 114583825
5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
CID 18673584
[4-[(5-ethylthiophen-2-yl)methyl]-1,2,4-triazol-3-yl]methanol
CID 106003653
5-[[5-(chloromethyl)imidazol-1-yl]methyl]-2-methylpyridine
CID 66149795
2,5-diethylthiophene
CID 521294
2-[3-[(5-bromothiophen-2-yl)methyl]imidazol-4-yl]ethanamine
CID 114720975
5-(chloromethyl)-1-decylimidazole
CID 18670803
5-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 18670887
5-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]imidazole
CID 66151662

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole?
The IUPAC name of 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole (CID 106005568) is 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole?
The canonical SMILES for 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole is CCc1ccc(Cn2cncc2CCl)s1.
What is the InChIKey of 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole?
The InChIKey is LCSMFNQCLKTYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2S/c1-2-10-3-4-11(15-10)7-14-8-13-6-9(14)5-12/h3-4,6,8H,2,5,7H2,1H3.
What are the key properties of 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole?
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole has a molecular weight of 240.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole is sourced from PubChem (CID 106005568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).