1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole

C20H22N2O — CID 42643329

IUPAC1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole
SMILESCCOc1ccc(-c2ccc(C(CC)n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-3-20(22-14-13-21-15-22)18-7-5-16(6-8-18)17-9-11-19(12-10-17)23-4-2/h5-15,20H,3-4H2,1-2H3
InChIKeyINNCRFYZHZFDRI-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.95
Rot. Bonds6

About 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole

1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole (PubChem CID 42643329) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole.

Molecular Properties

Compound Name1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole
PubChem CID42643329
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole
SMILESCCOc1ccc(-c2ccc(C(CC)n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-3-20(22-14-13-21-15-22)18-7-5-16(6-8-18)17-9-11-19(12-10-17)23-4-2/h5-15,20H,3-4H2,1-2H3
InChIKeyINNCRFYZHZFDRI-UHFFFAOYSA-N
XLogP4.95
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole?
The IUPAC name of 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole (CID 42643329) is 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole.
What is the SMILES notation for 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole?
The canonical SMILES for 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole is CCOc1ccc(-c2ccc(C(CC)n3ccnc3)cc2)cc1.
What is the InChIKey of 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole?
The InChIKey is INNCRFYZHZFDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-3-20(22-14-13-21-15-22)18-7-5-16(6-8-18)17-9-11-19(12-10-17)23-4-2/h5-15,20H,3-4H2,1-2H3.
What are the key properties of 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole?
1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole has a molecular weight of 306.41 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-ethoxyphenyl)phenyl]propyl]imidazole is sourced from PubChem (CID 42643329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).