(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol

C21H24N2O2 — CID 50952350

IUPAC(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol
SMILESCCc1c(-c2ccccc2)ncn1[C@H](CO)COCc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-20-21(18-11-7-4-8-12-18)22-16-23(20)19(13-24)15-25-14-17-9-5-3-6-10-17/h3-12,16,19,24H,2,13-15H2,1H3/t19-/m1/s1
InChIKeyALBCHFREEXIWEA-LJQANCHMSA-N
MW336.44 g/mol
LogP3.86
Rot. Bonds8

About (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol

(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol (PubChem CID 50952350) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol.

Molecular Properties

Compound Name(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol
PubChem CID50952350
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol
SMILESCCc1c(-c2ccccc2)ncn1[C@H](CO)COCc1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-20-21(18-11-7-4-8-12-18)22-16-23(20)19(13-24)15-25-14-17-9-5-3-6-10-17/h3-12,16,19,24H,2,13-15H2,1H3/t19-/m1/s1
InChIKeyALBCHFREEXIWEA-LJQANCHMSA-N
XLogP3.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[5-(furan-2-yl)-4-phenylimidazol-1-yl]-3-phenylmethoxypropan-1-ol
CID 50974974
3-[(5-ethyl-4-phenylimidazol-1-yl)methyl]phenol
CID 158313902
2-phenylmethoxyethane-1,1-diol
CID 59866645
CID 172760983
CID 172760983
2-methyl-5-[[4-phenyl-5-(phenylmethoxymethyl)imidazol-1-yl]methyl]pyrazine
CID 50958682
(2R,3R)-2-methyl-4-phenylmethoxybutane-1,3-diol
CID 13112308
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
(2S)-2-phenoxy-3-phenylmethoxypropan-1-ol
CID 22831407
1-phenylmethoxy-2-(phenylmethoxymethyl)pentan-3-ol
CID 11688242
(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
CID 134854729
(2R)-2-(dibenzylamino)-3-phenylmethoxypropan-1-ol
CID 101031219
2-[(4-methylphenyl)methyl]-3-phenylmethoxypropan-1-ol
CID 102940890

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol?
The IUPAC name of (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol (CID 50952350) is (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol.
What is the SMILES notation for (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol?
The canonical SMILES for (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol is CCc1c(-c2ccccc2)ncn1[C@H](CO)COCc1ccccc1.
What is the InChIKey of (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol?
The InChIKey is ALBCHFREEXIWEA-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-20-21(18-11-7-4-8-12-18)22-16-23(20)19(13-24)15-25-14-17-9-5-3-6-10-17/h3-12,16,19,24H,2,13-15H2,1H3/t19-/m1/s1.
What are the key properties of (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol?
(2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol has a molecular weight of 336.44 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-ethyl-4-phenylimidazol-1-yl)-3-phenylmethoxypropan-1-ol is sourced from PubChem (CID 50952350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).