2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole

C18H20N2 — CID 150959771

IUPAC2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(-c2ccc(CCCC3=NCCN3)cc2)cc1
InChIInChI=1S/C18H20N2/c1-2-6-16(7-3-1)17-11-9-15(10-12-17)5-4-8-18-19-13-14-20-18/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,19,20)
InChIKeyLLVTZQVOBZRCLW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.68
Rot. Bonds5

About 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole

2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole (PubChem CID 150959771) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole
PubChem CID150959771
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole
SMILESc1ccc(-c2ccc(CCCC3=NCCN3)cc2)cc1
InChIInChI=1S/C18H20N2/c1-2-6-16(7-3-1)17-11-9-15(10-12-17)5-4-8-18-19-13-14-20-18/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,19,20)
InChIKeyLLVTZQVOBZRCLW-UHFFFAOYSA-N
XLogP3.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole (CID 150959771) is 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole is c1ccc(-c2ccc(CCCC3=NCCN3)cc2)cc1.
What is the InChIKey of 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LLVTZQVOBZRCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-2-6-16(7-3-1)17-11-9-15(10-12-17)5-4-8-18-19-13-14-20-18/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,19,20).
What are the key properties of 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole?
2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole has a molecular weight of 264.37 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-phenylphenyl)propyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 150959771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).