2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole

C10H11ClN2O — CID 20529064

IUPAC2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(OCC2=NCCN2)cc1
InChIInChI=1S/C10H11ClN2O/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeySQKZVJVZTQWRQU-UHFFFAOYSA-N
MW210.66 g/mol
LogP1.72
Rot. Bonds3

About 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole

2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 20529064) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
PubChem CID20529064
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole
SMILESClc1ccc(OCC2=NCCN2)cc1
InChIInChI=1S/C10H11ClN2O/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13)
InChIKeySQKZVJVZTQWRQU-UHFFFAOYSA-N
XLogP1.72
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lofexidine
CID 30668
Lofexidine Hydrochloride
CID 30667
Fenmetozole
CID 32049
1H-Imidazole, 4,5-dihydro-2-(phenoxymethyl)-
CID 10442227
1-(2-(4-Chlorophenoxy)ethyl)piperazine
CID 894310
2-(1-phenoxyethyl)-4,5-dihydro-1H-imidazole
CID 44269122
Fenmetozole Hydrochloride
CID 32048
(2-(4-Chlorophenoxy)ethyl)(methyl)amine
CID 295966
Levlofexidine
CID 3038503
Dexlofexidine
CID 208822
2-[1-(2-chlorophenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 57345625
2-(4-Chlorophenoxy)ethanimidamide
CID 2735787

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole (CID 20529064) is 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole is Clc1ccc(OCC2=NCCN2)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is SQKZVJVZTQWRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O/c11-8-1-3-9(4-2-8)14-7-10-12-5-6-13-10/h1-4H,5-7H2,(H,12,13).
What are the key properties of 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole?
2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 210.66 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 20529064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).