5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol

C16H18ClN3O2 — CID 175742349

IUPAC5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol
SMILESOc1cncc(N2CCN(CCOc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C16H18ClN3O2/c17-13-1-3-16(4-2-13)22-8-7-19-5-6-20(12-19)14-9-15(21)11-18-10-14/h1-4,9-11,21H,5-8,12H2
InChIKeySIICOZPCRRXWGF-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.60
Rot. Bonds5

About 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol

5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol (PubChem CID 175742349) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol
PubChem CID175742349
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol
SMILESOc1cncc(N2CCN(CCOc3ccc(Cl)cc3)C2)c1
InChIInChI=1S/C16H18ClN3O2/c17-13-1-3-16(4-2-13)22-8-7-19-5-6-20(12-19)14-9-15(21)11-18-10-14/h1-4,9-11,21H,5-8,12H2
InChIKeySIICOZPCRRXWGF-UHFFFAOYSA-N
XLogP2.60
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]phenol
CID 8691218
6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 18133063
methyl 2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]acetate
CID 47014080
4-[2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethoxy]benzenesulfonamide
CID 34704622
(4-chlorophenyl)-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 23553296
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 30649023
1-[2-(4-chlorophenoxy)ethyl]azetidin-3-ol
CID 63091463
1-phenyl-4-[2-(4-phenylphenoxy)ethyl]piperazine
CID 94036722
[(1R,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]methanone
CID 46972616
3-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]quinoline
CID 24733909
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 27847337
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988

Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol?
The IUPAC name of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol (CID 175742349) is 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol.
What is the SMILES notation for 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol?
The canonical SMILES for 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol is Oc1cncc(N2CCN(CCOc3ccc(Cl)cc3)C2)c1.
What is the InChIKey of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol?
The InChIKey is SIICOZPCRRXWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-13-1-3-16(4-2-13)22-8-7-19-5-6-20(12-19)14-9-15(21)11-18-10-14/h1-4,9-11,21H,5-8,12H2.
What are the key properties of 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol?
5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol has a molecular weight of 319.79 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(4-chlorophenoxy)ethyl]imidazolidin-1-yl]pyridin-3-ol is sourced from PubChem (CID 175742349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).