4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole

C22H26N2O3 — CID 71718679

IUPAC4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
SMILESCCCc1[nH]c(Cc2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-5-9-17-21(16-10-7-6-8-11-16)24-20(23-17)14-15-12-18(25-2)22(27-4)19(13-15)26-3/h6-8,10-13H,5,9,14H2,1-4H3,(H,23,24)
InChIKeySAERFGGEBCVEBT-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.65
Rot. Bonds8

About 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole

4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole (PubChem CID 71718679) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
PubChem CID71718679
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole
SMILESCCCc1[nH]c(Cc2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1
InChIInChI=1S/C22H26N2O3/c1-5-9-17-21(16-10-7-6-8-11-16)24-20(23-17)14-15-12-18(25-2)22(27-4)19(13-15)26-3/h6-8,10-13H,5,9,14H2,1-4H3,(H,23,24)
InChIKeySAERFGGEBCVEBT-UHFFFAOYSA-N
XLogP4.65
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The IUPAC name of 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole (CID 71718679) is 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The canonical SMILES for 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole is CCCc1[nH]c(Cc2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1.
What is the InChIKey of 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
The InChIKey is SAERFGGEBCVEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-5-9-17-21(16-10-7-6-8-11-16)24-20(23-17)14-15-12-18(25-2)22(27-4)19(13-15)26-3/h6-8,10-13H,5,9,14H2,1-4H3,(H,23,24).
What are the key properties of 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole?
4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole has a molecular weight of 366.46 g/mol, XLogP of 4.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-propyl-2-[(3,4,5-trimethoxyphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 71718679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).