1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

C18H23N3O2 — CID 15917643

IUPAC1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESC=C(c1ccccc1OCC(O)CN1CCCC1)n1ccnc1
InChIInChI=1S/C18H23N3O2/c1-15(21-11-8-19-14-21)17-6-2-3-7-18(17)23-13-16(22)12-20-9-4-5-10-20/h2-3,6-8,11,14,16,22H,1,4-5,9-10,12-13H2
InChIKeyLKTXWODSKCMTEQ-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.24
Rot. Bonds7

About 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol

1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 15917643) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID15917643
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
SMILESC=C(c1ccccc1OCC(O)CN1CCCC1)n1ccnc1
InChIInChI=1S/C18H23N3O2/c1-15(21-11-8-19-14-21)17-6-2-3-7-18(17)23-13-16(22)12-20-9-4-5-10-20/h2-3,6-8,11,14,16,22H,1,4-5,9-10,12-13H2
InChIKeyLKTXWODSKCMTEQ-UHFFFAOYSA-N
XLogP2.24
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol (CID 15917643) is 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is C=C(c1ccccc1OCC(O)CN1CCCC1)n1ccnc1.
What is the InChIKey of 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is LKTXWODSKCMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-15(21-11-8-19-14-21)17-6-2-3-7-18(17)23-13-16(22)12-20-9-4-5-10-20/h2-3,6-8,11,14,16,22H,1,4-5,9-10,12-13H2.
What are the key properties of 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol?
1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 313.40 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 15917643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).