5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole

C22H24N2O2 — CID 95124816

IUPAC5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole
SMILESCOc1ccccc1OC[C@H](C)n1cnc(-c2ccccc2)c1C1CC1
InChIInChI=1S/C22H24N2O2/c1-16(14-26-20-11-7-6-10-19(20)25-2)24-15-23-21(22(24)18-12-13-18)17-8-4-3-5-9-17/h3-11,15-16,18H,12-14H2,1-2H3/t16-/m0/s1
InChIKeyJUMWOGXPEFKCOY-INIZCTEOSA-N
MW348.45 g/mol
LogP5.08
Rot. Bonds7

About 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole

5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole (PubChem CID 95124816) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole.

Molecular Properties

Compound Name5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole
PubChem CID95124816
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole
SMILESCOc1ccccc1OC[C@H](C)n1cnc(-c2ccccc2)c1C1CC1
InChIInChI=1S/C22H24N2O2/c1-16(14-26-20-11-7-6-10-19(20)25-2)24-15-23-21(22(24)18-12-13-18)17-8-4-3-5-9-17/h3-11,15-16,18H,12-14H2,1-2H3/t16-/m0/s1
InChIKeyJUMWOGXPEFKCOY-INIZCTEOSA-N
XLogP5.08
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-1-[4-(furan-2-yl)butan-2-yl]-4-phenylimidazole
CID 50984585
5-(3,5-difluoro-4-methoxyphenyl)-1-[(2S)-1-methoxypropan-2-yl]-4-phenylimidazole
CID 50966339
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
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CID 113449278
1-[1-(2-methoxyphenoxy)propan-2-yl]piperazine;dihydrochloride
CID 82021730
1-(2-methoxyphenoxy)propan-2-ol
CID 22036327
1-methoxy-2-[(2R)-2-methoxy-2-phenylethoxy]benzene
CID 139888688
1-cyclopentyl-3-(2-methoxyphenoxy)propan-2-ol
CID 103160603
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
CID 117238314
1-(2-methoxyphenoxy)-3-(3-phenylpyrazol-1-yl)propan-2-ol
CID 141127298
3-[1-[5-(2-fluoro-3-methoxyphenyl)-4-phenylimidazol-1-yl]ethyl]-4-methyl-1,2,4-triazole
CID 50962744
4-phenyl-1,5-di(propan-2-yl)imidazole
CID 167225252

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole?
The IUPAC name of 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole (CID 95124816) is 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole.
What is the SMILES notation for 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole?
The canonical SMILES for 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole is COc1ccccc1OC[C@H](C)n1cnc(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole?
The InChIKey is JUMWOGXPEFKCOY-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16(14-26-20-11-7-6-10-19(20)25-2)24-15-23-21(22(24)18-12-13-18)17-8-4-3-5-9-17/h3-11,15-16,18H,12-14H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole?
5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole has a molecular weight of 348.45 g/mol, XLogP of 5.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[(2S)-1-(2-methoxyphenoxy)propan-2-yl]-4-phenylimidazole is sourced from PubChem (CID 95124816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).