5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride

C17H16Cl2N2 — CID 3076710

IUPAC5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride
SMILESCl.Clc1ccccc1C(Cc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C17H15ClN2.ClH/c18-17-9-5-4-8-15(17)16(10-14-11-19-12-20-14)13-6-2-1-3-7-13;/h1-9,11-12,16H,10H2,(H,19,20);1H
InChIKeyHWCNSSPMIREDPD-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.86
Rot. Bonds4

About 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride

5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride (PubChem CID 3076710) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride
PubChem CID3076710
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride
SMILESCl.Clc1ccccc1C(Cc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C17H15ClN2.ClH/c18-17-9-5-4-8-15(17)16(10-14-11-19-12-20-14)13-6-2-1-3-7-13;/h1-9,11-12,16H,10H2,(H,19,20);1H
InChIKeyHWCNSSPMIREDPD-UHFFFAOYSA-N
XLogP4.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride (CID 3076710) is 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride is Cl.Clc1ccccc1C(Cc1cnc[nH]1)c1ccccc1.
What is the InChIKey of 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride?
The InChIKey is HWCNSSPMIREDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2.ClH/c18-17-9-5-4-8-15(17)16(10-14-11-19-12-20-14)13-6-2-1-3-7-13;/h1-9,11-12,16H,10H2,(H,19,20);1H.
What are the key properties of 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride?
5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride has a molecular weight of 319.24 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenyl)-2-phenylethyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 3076710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).