2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole

C26H28N2O3 — CID 54217279

IUPAC2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(OCc2ccccc2)c1OC(CCc1ccccc1)C1=NCCN1
InChIInChI=1S/C26H28N2O3/c1-29-22-13-8-14-23(30-19-21-11-6-3-7-12-21)25(22)31-24(26-27-17-18-28-26)16-15-20-9-4-2-5-10-20/h2-14,24H,15-19H2,1H3,(H,27,28)
InChIKeyQACBDHKQWRKHRS-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.66
Rot. Bonds10

About 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole

2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole (PubChem CID 54217279) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole
PubChem CID54217279
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Name2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(OCc2ccccc2)c1OC(CCc1ccccc1)C1=NCCN1
InChIInChI=1S/C26H28N2O3/c1-29-22-13-8-14-23(30-19-21-11-6-3-7-12-21)25(22)31-24(26-27-17-18-28-26)16-15-20-9-4-2-5-10-20/h2-14,24H,15-19H2,1H3,(H,27,28)
InChIKeyQACBDHKQWRKHRS-UHFFFAOYSA-N
XLogP4.66
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-4,5-dihydro-1H-imidazole
CID 110537997
1-[(2,3-dimethoxyphenyl)-(2-phenylmethoxyphenyl)methyl]piperazine
CID 3890926
2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
CID 163084362
(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-4-methylpentan-1-amine
CID 171214368
O-[2-(2-methoxy-3-phenylmethoxyphenyl)ethyl]hydroxylamine
CID 117435855
1-(3-methoxy-2-phenylmethoxyphenyl)butan-1-ol
CID 83951053
(2S)-2-amino-2-(3-methoxy-2-phenylmethoxyphenyl)ethanol
CID 66515873
1-(2,3-dimethoxyphenyl)-N-methyl-3-phenylpropan-1-amine
CID 105094223
1-(3-methoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 83951052
2-[3,3-bis(4-methylphenyl)propyl]-1-methoxy-3-phenylmethoxybenzene
CID 56978489
2-ethoxy-1-ethyl-3-phenylmethoxybenzene
CID 173205995
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole (CID 54217279) is 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole is COc1cccc(OCc2ccccc2)c1OC(CCc1ccccc1)C1=NCCN1.
What is the InChIKey of 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QACBDHKQWRKHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-29-22-13-8-14-23(30-19-21-11-6-3-7-12-21)25(22)31-24(26-27-17-18-28-26)16-15-20-9-4-2-5-10-20/h2-14,24H,15-19H2,1H3,(H,27,28).
What are the key properties of 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole?
2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole has a molecular weight of 416.52 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxy-6-phenylmethoxyphenoxy)-3-phenylpropyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54217279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).