(E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol

C25H31N3O4 — CID 174237195

IUPAC(E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol
SMILESCC(O)c1nccn1C(/C=C/c1ccc(-c2ccc(OCC(N)CO)cc2)cc1)CCO
InChIInChI=1S/C25H31N3O4/c1-18(31)25-27-13-14-28(25)23(12-15-29)9-4-19-2-5-20(6-3-19)21-7-10-24(11-8-21)32-17-22(26)16-30/h2-11,13-14,18,22-23,29-31H,12,15-17,26H2,1H3/b9-4+
InChIKeyWCHAUXNMOMIQSC-RUDMXATFSA-N
MW437.54 g/mol
LogP2.94
Rot. Bonds11

About (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol

(E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol (PubChem CID 174237195) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol.

Molecular Properties

Compound Name(E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol
PubChem CID174237195
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name(E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol
SMILESCC(O)c1nccn1C(/C=C/c1ccc(-c2ccc(OCC(N)CO)cc2)cc1)CCO
InChIInChI=1S/C25H31N3O4/c1-18(31)25-27-13-14-28(25)23(12-15-29)9-4-19-2-5-20(6-3-19)21-7-10-24(11-8-21)32-17-22(26)16-30/h2-11,13-14,18,22-23,29-31H,12,15-17,26H2,1H3/b9-4+
InChIKeyWCHAUXNMOMIQSC-RUDMXATFSA-N
XLogP2.94
TPSA113.76 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol
CID 167184623
(E,2S)-4-[4-[4-[2-(dimethylamino)-3-hydroxypropoxy]phenyl]phenyl]-2-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-3-en-1-ol
CID 167184768
(E)-4-[4-[4-[3-(dimethylamino)-2-hydroxypropoxy]phenyl]phenyl]-2-[2-(1-hydroxyethyl)imidazol-1-yl]but-3-en-1-ol
CID 174238170
3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]-5-[4-[4-[1-(2-hydroxyethyl)piperidin-4-yl]oxyphenyl]phenyl]pent-4-en-1-ol
CID 175958747
3-[3-fluoro-4-[4-[(E)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]propane-1,2-diol
CID 174237023
2-[3-[4-[4-[(E,3S)-4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-enyl]phenyl]phenoxy]azetidin-1-yl]acetonitrile
CID 170792263
(E)-4-[4-[4-[[(1R,2S)-2-aminocyclopropyl]oxymethyl]phenyl]phenyl]-2-[2-(1-hydroxyethyl)imidazol-1-yl]but-3-en-1-ol
CID 174237223
1-hydroxy-4-[4-[4-[(E)-4-hydroxy-3-[2-(1-hydroxyethyl)imidazol-1-yl]but-1-enyl]phenyl]phenyl]butan-2-one
CID 170792301
(E,2S)-2-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]-4-[4-[4-[3-[(1-hydroxypropan-2-ylamino)methyl]cyclobutyl]phenyl]phenyl]but-3-en-1-ol
CID 171466891
(2S)-2-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]-4-[4-[4-[(2R)-2-hydroxypropoxy]phenyl]phenyl]but-3-yn-1-ol
CID 177227523
5-[4-[4-[4-hydroxy-3-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]but-1-ynyl]phenyl]phenoxy]pentane-1,4-diol
CID 174238330
(E)-2-[2-[(1S)-1-hydroxyethyl]imidazol-1-yl]-4-[4-[4-[3-(1,3-oxazol-4-ylmethylamino)cyclobutyl]phenyl]phenyl]but-3-en-1-ol
CID 174232447

Frequently Asked Questions

What is the IUPAC name of (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol?
The IUPAC name of (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol (CID 174237195) is (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol.
What is the SMILES notation for (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol?
The canonical SMILES for (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol is CC(O)c1nccn1C(/C=C/c1ccc(-c2ccc(OCC(N)CO)cc2)cc1)CCO.
What is the InChIKey of (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol?
The InChIKey is WCHAUXNMOMIQSC-RUDMXATFSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-18(31)25-27-13-14-28(25)23(12-15-29)9-4-19-2-5-20(6-3-19)21-7-10-24(11-8-21)32-17-22(26)16-30/h2-11,13-14,18,22-23,29-31H,12,15-17,26H2,1H3/b9-4+.
What are the key properties of (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol?
(E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol has a molecular weight of 437.54 g/mol, XLogP of 2.94, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-[4-[4-(2-amino-3-hydroxypropoxy)phenyl]phenyl]-3-[2-(1-hydroxyethyl)imidazol-1-yl]pent-4-en-1-ol is sourced from PubChem (CID 174237195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).