1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C16H23N3O2 — CID 15916939

IUPAC1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1Cn1ccnc1
InChIInChI=1S/C16H23N3O2/c1-13(2)18-9-15(20)11-21-16-6-4-3-5-14(16)10-19-8-7-17-12-19/h3-8,12-13,15,18,20H,9-11H2,1-2H3
InChIKeyXSHOGTOFCQUDLO-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.67
Rot. Bonds8

About 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 15916939) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID15916939
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)COc1ccccc1Cn1ccnc1
InChIInChI=1S/C16H23N3O2/c1-13(2)18-9-15(20)11-21-16-6-4-3-5-14(16)10-19-8-7-17-12-19/h3-8,12-13,15,18,20H,9-11H2,1-2H3
InChIKeyXSHOGTOFCQUDLO-UHFFFAOYSA-N
XLogP1.67
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 15916939) is 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)COc1ccccc1Cn1ccnc1.
What is the InChIKey of 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is XSHOGTOFCQUDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(2)18-9-15(20)11-21-16-6-4-3-5-14(16)10-19-8-7-17-12-19/h3-8,12-13,15,18,20H,9-11H2,1-2H3.
What are the key properties of 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 289.38 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(imidazol-1-ylmethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 15916939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).