2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

C24H24Cl2N4 — CID 90664495

IUPAC2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(C2=NCCN2)cc(-c2cccc(-c3cccc(C4=NCCN4)c3)c2)c1
InChIInChI=1S/C24H22N4.2ClH/c1-4-17(19-6-2-8-21(15-19)23-25-10-11-26-23)14-18(5-1)20-7-3-9-22(16-20)24-27-12-13-28-24;;/h1-9,14-16H,10-13H2,(H,25,26)(H,27,28);2*1H
InChIKeyVCRXWCVZTJVMHA-UHFFFAOYSA-N
MW439.39 g/mol
LogP4.56
Rot. Bonds4

About 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride

2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 90664495) has the molecular formula C24H24Cl2N4 and a molecular weight of 439.39 g/mol. Its IUPAC name is 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID90664495
Molecular FormulaC24H24Cl2N4
Molecular Weight439.39 g/mol
Exact Mass438.14
IUPAC Name2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1cc(C2=NCCN2)cc(-c2cccc(-c3cccc(C4=NCCN4)c3)c2)c1
InChIInChI=1S/C24H22N4.2ClH/c1-4-17(19-6-2-8-21(15-19)23-25-10-11-26-23)14-18(5-1)20-7-3-9-22(16-20)24-27-12-13-28-24;;/h1-9,14-16H,10-13H2,(H,25,26)(H,27,28);2*1H
InChIKeyVCRXWCVZTJVMHA-UHFFFAOYSA-N
XLogP4.56
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.39
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride (CID 90664495) is 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is Cl.Cl.c1cc(C2=NCCN2)cc(-c2cccc(-c3cccc(C4=NCCN4)c3)c2)c1.
What is the InChIKey of 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is VCRXWCVZTJVMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4.2ClH/c1-4-17(19-6-2-8-21(15-19)23-25-10-11-26-23)14-18(5-1)20-7-3-9-22(16-20)24-27-12-13-28-24;;/h1-9,14-16H,10-13H2,(H,25,26)(H,27,28);2*1H.
What are the key properties of 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride?
2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 439.39 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]phenyl]phenyl]-4,5-dihydro-1H-imidazole;dihydrochloride is sourced from PubChem (CID 90664495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).