1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole

C18H20N2 — CID 86006012

IUPAC1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole
SMILESc1ccc(CCC2=NCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2/c1-3-7-16(8-4-1)11-12-18-19-13-14-20(18)15-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyCSMXKHAYHXVPTD-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.53
Rot. Bonds5

About 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole

1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole (PubChem CID 86006012) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole
PubChem CID86006012
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole
SMILESc1ccc(CCC2=NCCN2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2/c1-3-7-16(8-4-1)11-12-18-19-13-14-20(18)15-17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyCSMXKHAYHXVPTD-UHFFFAOYSA-N
XLogP3.53
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole (CID 86006012) is 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole is c1ccc(CCC2=NCCN2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole?
The InChIKey is CSMXKHAYHXVPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-3-7-16(8-4-1)11-12-18-19-13-14-20(18)15-17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole?
1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole has a molecular weight of 264.37 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 86006012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).