4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol

C24H31N3O2 — CID 11165305

IUPAC4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol
SMILESCCC1=N[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@H](c2ccc(O)cc2)N1
InChIInChI=1S/C24H31N3O2/c1-2-22-25-23(18-6-10-20(28)11-7-18)24(26-22)19-8-12-21(13-9-19)29-17-16-27-14-4-3-5-15-27/h6-13,23-24,28H,2-5,14-17H2,1H3,(H,25,26)/t23-,24+/m0/s1
InChIKeyYSPZCXSHEWGXRL-BJKOFHAPSA-N
MW393.53 g/mol
LogP4.45
Rot. Bonds7

About 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol

4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol (PubChem CID 11165305) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol
PubChem CID11165305
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol
SMILESCCC1=N[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@H](c2ccc(O)cc2)N1
InChIInChI=1S/C24H31N3O2/c1-2-22-25-23(18-6-10-20(28)11-7-18)24(26-22)19-8-12-21(13-9-19)29-17-16-27-14-4-3-5-15-27/h6-13,23-24,28H,2-5,14-17H2,1H3,(H,25,26)/t23-,24+/m0/s1
InChIKeyYSPZCXSHEWGXRL-BJKOFHAPSA-N
XLogP4.45
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol (CID 11165305) is 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol is CCC1=N[C@H](c2ccc(OCCN3CCCCC3)cc2)[C@H](c2ccc(O)cc2)N1.
What is the InChIKey of 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
The InChIKey is YSPZCXSHEWGXRL-BJKOFHAPSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-2-22-25-23(18-6-10-20(28)11-7-18)24(26-22)19-8-12-21(13-9-19)29-17-16-27-14-4-3-5-15-27/h6-13,23-24,28H,2-5,14-17H2,1H3,(H,25,26)/t23-,24+/m0/s1.
What are the key properties of 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol has a molecular weight of 393.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5S)-2-ethyl-4-[4-(2-piperidin-1-ylethoxy)phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 11165305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).