1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine

C11H12ClN3O — CID 142479985

IUPAC1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
SMILESNc1nccn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c12-9-1-3-10(4-2-9)16-8-7-15-6-5-14-11(15)13/h1-6H,7-8H2,(H2,13,14)
InChIKeyPVKBSFYXEFXBLF-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine

1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine (PubChem CID 142479985) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
PubChem CID142479985
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine
SMILESNc1nccn1CCOc1ccc(Cl)cc1
InChIInChI=1S/C11H12ClN3O/c12-9-1-3-10(4-2-9)16-8-7-15-6-5-14-11(15)13/h1-6H,7-8H2,(H2,13,14)
InChIKeyPVKBSFYXEFXBLF-UHFFFAOYSA-N
XLogP2.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
N-[2-(4-chlorophenoxy)ethyl]-2-methoxy-N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 131896758
1-(4-chlorophenyl)imidazol-2-amine
CID 106558475
1-[2-(4-chlorophenoxy)ethyl]benzimidazole
CID 803004
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
1-butylimidazol-2-amine
CID 60860613
5-tert-butyl-1-[2-(4-chlorophenoxy)ethyl]triazol-4-amine
CID 79542486
2-(2-methylimidazol-1-yl)ethyl 4-chlorobenzoate
CID 171987057
1-(3-phenylmethoxypropyl)imidazol-2-amine
CID 165466096
[3-[2-(4-chlorophenoxy)ethyl]triazol-4-yl]methanamine
CID 82209256

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine (CID 142479985) is 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine is Nc1nccn1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine?
The InChIKey is PVKBSFYXEFXBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c12-9-1-3-10(4-2-9)16-8-7-15-6-5-14-11(15)13/h1-6H,7-8H2,(H2,13,14).
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine?
1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine has a molecular weight of 237.69 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]imidazol-2-amine is sourced from PubChem (CID 142479985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).