5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole

C24H28N2O2 — CID 19959377

IUPAC5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole
SMILESCOc1ccc(C(Cc2cncn2C)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H28N2O2/c1-26-17-25-16-20(26)15-22(18-8-4-3-5-9-18)19-12-13-23(27-2)24(14-19)28-21-10-6-7-11-21/h3-5,8-9,12-14,16-17,21-22H,6-7,10-11,15H2,1-2H3
InChIKeyPPMYCRWPWSHNRP-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.12
Rot. Bonds7

About 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole

5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole (PubChem CID 19959377) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole.

Molecular Properties

Compound Name5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole
PubChem CID19959377
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC Name5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole
SMILESCOc1ccc(C(Cc2cncn2C)c2ccccc2)cc1OC1CCCC1
InChIInChI=1S/C24H28N2O2/c1-26-17-25-16-20(26)15-22(18-8-4-3-5-9-18)19-12-13-23(27-2)24(14-19)28-21-10-6-7-11-21/h3-5,8-9,12-14,16-17,21-22H,6-7,10-11,15H2,1-2H3
InChIKeyPPMYCRWPWSHNRP-UHFFFAOYSA-N
XLogP5.12
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Preclathridine A
CID 5324779
1-[2-[4-Methoxy-3-[3-(4-methoxyphenyl)propoxy]phenyl]ethyl]imidazole
CID 4564402
1-{2-[3-(Indan-2-yloxy)-4-methoxy-phenyl]-propyl}-1,3-dihydro-imidazol-2-ylidene-cyanamide
CID 9908333
1-(beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl)-1H-imidazole hydrochloride
CID 11957693
4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-ethyl]-pyrimidine
CID 19959342
[1-[(2S)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
CID 54582010
5-[(6,7-dimethoxy-1-methyl-3,4-dihydronaphthalen-2-yl)methyl]-1H-imidazole
CID 23644758
[1-[(2R)-2-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
CID 10045809
[1-[2-[4-(Difluoromethoxy)-3-(5-phenylpentoxy)phenyl]propyl]imidazol-2-yl]cyanamide
CID 44372706
[1-[2-[4-Methoxy-3-(5-phenylpentoxy)phenyl]propyl]imidazol-2-yl]cyanamide
CID 44373061
[1-[2-[4-Methoxy-3-(oxolan-3-yloxy)phenyl]propyl]imidazol-2-yl]cyanamide
CID 44373136
[1-[2-[3-(Cyclopropylmethoxy)-4-methoxyphenyl]propyl]imidazol-2-yl]cyanamide
CID 44373180

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole?
The IUPAC name of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole (CID 19959377) is 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole.
What is the SMILES notation for 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole?
The canonical SMILES for 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole is COc1ccc(C(Cc2cncn2C)c2ccccc2)cc1OC1CCCC1.
What is the InChIKey of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole?
The InChIKey is PPMYCRWPWSHNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-26-17-25-16-20(26)15-22(18-8-4-3-5-9-18)19-12-13-23(27-2)24(14-19)28-21-10-6-7-11-21/h3-5,8-9,12-14,16-17,21-22H,6-7,10-11,15H2,1-2H3.
What are the key properties of 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole?
5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole has a molecular weight of 376.50 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-cyclopentyloxy-4-methoxyphenyl)-2-phenylethyl]-1-methylimidazole is sourced from PubChem (CID 19959377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).