2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole

C14H17ClN2O2 — CID 56715581

IUPAC2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole
SMILESCCOc1cc(-c2ncc[nH]2)c(Cl)cc1OC(C)C
InChIInChI=1S/C14H17ClN2O2/c1-4-18-12-7-10(14-16-5-6-17-14)11(15)8-13(12)19-9(2)3/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyKNRRIYJXSIQGDX-UHFFFAOYSA-N
MW280.75 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole

2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole (PubChem CID 56715581) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole
PubChem CID56715581
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole
SMILESCCOc1cc(-c2ncc[nH]2)c(Cl)cc1OC(C)C
InChIInChI=1S/C14H17ClN2O2/c1-4-18-12-7-10(14-16-5-6-17-14)11(15)8-13(12)19-9(2)3/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyKNRRIYJXSIQGDX-UHFFFAOYSA-N
XLogP3.92
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
CID 110539783
(3-chloro-4-ethoxyphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835164
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-2H-tetrazol-5-amine
CID 66542157
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 66532416
2-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]butan-1-ol
CID 2959836
N'-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-N-methylpropane-1,3-diamine
CID 66538110
(4-ethoxy-3-methylphenyl)-(1H-imidazol-2-yl)methanamine
CID 116835162
N-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 50973420
2-butan-2-yl-1H-imidazole;ethane
CID 156722843
2-amino-2-[4-chloro-3-(1H-imidazol-2-yl)phenyl]ethanol
CID 138732693
5-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 66532393
2-[3-[(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)methylamino]propylamino]ethanol
CID 66537972

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole?
The IUPAC name of 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole (CID 56715581) is 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole is CCOc1cc(-c2ncc[nH]2)c(Cl)cc1OC(C)C.
What is the InChIKey of 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole?
The InChIKey is KNRRIYJXSIQGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-4-18-12-7-10(14-16-5-6-17-14)11(15)8-13(12)19-9(2)3/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole?
2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole has a molecular weight of 280.75 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-ethoxy-4-propan-2-yloxyphenyl)-1H-imidazole is sourced from PubChem (CID 56715581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).