1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol

C16H21N3O2 — CID 168513831

IUPAC1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
SMILESOC(COc1ccc(N2CCCC2)cc1)Cn1ccnc1
InChIInChI=1S/C16H21N3O2/c20-15(11-18-10-7-17-13-18)12-21-16-5-3-14(4-6-16)19-8-1-2-9-19/h3-7,10,13,15,20H,1-2,8-9,11-12H2
InChIKeyCICJOYGBPSIAKJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.92
Rot. Bonds6

About 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol

1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol (PubChem CID 168513831) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
PubChem CID168513831
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
SMILESOC(COc1ccc(N2CCCC2)cc1)Cn1ccnc1
InChIInChI=1S/C16H21N3O2/c20-15(11-18-10-7-17-13-18)12-21-16-5-3-14(4-6-16)19-8-1-2-9-19/h3-7,10,13,15,20H,1-2,8-9,11-12H2
InChIKeyCICJOYGBPSIAKJ-UHFFFAOYSA-N
XLogP1.92
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
1-morpholin-4-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 109416651
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333930
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
The IUPAC name of 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol (CID 168513831) is 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol.
What is the SMILES notation for 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
The canonical SMILES for 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol is OC(COc1ccc(N2CCCC2)cc1)Cn1ccnc1.
What is the InChIKey of 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
The InChIKey is CICJOYGBPSIAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-15(11-18-10-7-17-13-18)12-21-16-5-3-14(4-6-16)19-8-1-2-9-19/h3-7,10,13,15,20H,1-2,8-9,11-12H2.
What are the key properties of 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol?
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol has a molecular weight of 287.36 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol is sourced from PubChem (CID 168513831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).