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

C20H22N2 — CID 44587321

IUPAC1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole
SMILESCCc1ccc(-c2ccc(C(CC)n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N2/c1-3-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(4-2)22-14-13-21-15-22/h5-15,20H,3-4H2,1-2H3
InChIKeyQQMBOZZNCNQCSN-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.11
Rot. Bonds5

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

1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole (PubChem CID 44587321) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole.

Molecular Properties

Compound Name1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole
PubChem CID44587321
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole
SMILESCCc1ccc(-c2ccc(C(CC)n3ccnc3)cc2)cc1
InChIInChI=1S/C20H22N2/c1-3-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(4-2)22-14-13-21-15-22/h5-15,20H,3-4H2,1-2H3
InChIKeyQQMBOZZNCNQCSN-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole?
The IUPAC name of 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole (CID 44587321) is 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole.
What is the SMILES notation for 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole?
The canonical SMILES for 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole is CCc1ccc(-c2ccc(C(CC)n3ccnc3)cc2)cc1.
What is the InChIKey of 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole?
The InChIKey is QQMBOZZNCNQCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-16-5-7-17(8-6-16)18-9-11-19(12-10-18)20(4-2)22-14-13-21-15-22/h5-15,20H,3-4H2,1-2H3.
What are the key properties of 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole?
1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole has a molecular weight of 290.41 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-ethylphenyl)phenyl]propyl]imidazole is sourced from PubChem (CID 44587321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).