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

C18H21ClN2 — CID 54602889

IUPAC2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride
SMILESCl.c1ccc(CCN2CCN=C2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2.ClH/c1-3-7-16(8-4-1)11-13-20-14-12-19-18(20)15-17-9-5-2-6-10-17;/h1-10H,11-15H2;1H
InChIKeyTYIPTENWQHJHGW-UHFFFAOYSA-N
MW300.83 g/mol
LogP3.61
Rot. Bonds5

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

2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride (PubChem CID 54602889) has the molecular formula C18H21ClN2 and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride.

Molecular Properties

Compound Name2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride
PubChem CID54602889
Molecular FormulaC18H21ClN2
Molecular Weight300.83 g/mol
Exact Mass300.14
IUPAC Name2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride
SMILESCl.c1ccc(CCN2CCN=C2Cc2ccccc2)cc1
InChIInChI=1S/C18H20N2.ClH/c1-3-7-16(8-4-1)11-13-20-14-12-19-18(20)15-17-9-5-2-6-10-17;/h1-10H,11-15H2;1H
InChIKeyTYIPTENWQHJHGW-UHFFFAOYSA-N
XLogP3.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride?
The IUPAC name of 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride (CID 54602889) is 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride.
What is the SMILES notation for 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride?
The canonical SMILES for 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride is Cl.c1ccc(CCN2CCN=C2Cc2ccccc2)cc1.
What is the InChIKey of 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride?
The InChIKey is TYIPTENWQHJHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2.ClH/c1-3-7-16(8-4-1)11-13-20-14-12-19-18(20)15-17-9-5-2-6-10-17;/h1-10H,11-15H2;1H.
What are the key properties of 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride?
2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride is sourced from PubChem (CID 54602889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).