2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole

C50H30Cl4N4 — CID 19064229

IUPAC2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole
SMILESClc1ccccc1C1=NC(c2cccc3ccccc23)(C2(c3cccc4ccccc34)N=C(c3ccccc3Cl)C(c3ccccc3Cl)=N2)N=C1c1ccccc1Cl
InChIInChI=1S/C50H30Cl4N4/c51-41-27-9-5-21-35(41)45-46(36-22-6-10-28-42(36)52)56-49(55-45,39-25-13-17-31-15-1-3-19-33(31)39)50(40-26-14-18-32-16-2-4-20-34(32)40)57-47(37-23-7-11-29-43(37)53)48(58-50)38-24-8-12-30-44(38)54/h1-30H
InChIKeyVTDBHHODPALKDM-UHFFFAOYSA-N
MW828.63 g/mol
LogP13.60
Rot. Bonds7

About 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole

2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole (PubChem CID 19064229) has the molecular formula C50H30Cl4N4 and a molecular weight of 828.63 g/mol. Its IUPAC name is 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole.

Molecular Properties

Compound Name2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole
PubChem CID19064229
Molecular FormulaC50H30Cl4N4
Molecular Weight828.63 g/mol
Exact Mass826.12
IUPAC Name2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole
SMILESClc1ccccc1C1=NC(c2cccc3ccccc23)(C2(c3cccc4ccccc34)N=C(c3ccccc3Cl)C(c3ccccc3Cl)=N2)N=C1c1ccccc1Cl
InChIInChI=1S/C50H30Cl4N4/c51-41-27-9-5-21-35(41)45-46(36-22-6-10-28-42(36)52)56-49(55-45,39-25-13-17-31-15-1-3-19-33(31)39)50(40-26-14-18-32-16-2-4-20-34(32)40)57-47(37-23-7-11-29-43(37)53)48(58-50)38-24-8-12-30-44(38)54/h1-30H
InChIKeyVTDBHHODPALKDM-UHFFFAOYSA-N
XLogP13.60
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.63
LogP ≤ 513.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole?
The IUPAC name of 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole (CID 19064229) is 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole.
What is the SMILES notation for 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole?
The canonical SMILES for 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole is Clc1ccccc1C1=NC(c2cccc3ccccc23)(C2(c3cccc4ccccc34)N=C(c3ccccc3Cl)C(c3ccccc3Cl)=N2)N=C1c1ccccc1Cl.
What is the InChIKey of 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole?
The InChIKey is VTDBHHODPALKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30Cl4N4/c51-41-27-9-5-21-35(41)45-46(36-22-6-10-28-42(36)52)56-49(55-45,39-25-13-17-31-15-1-3-19-33(31)39)50(40-26-14-18-32-16-2-4-20-34(32)40)57-47(37-23-7-11-29-43(37)53)48(58-50)38-24-8-12-30-44(38)54/h1-30H.
What are the key properties of 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole?
2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole has a molecular weight of 828.63 g/mol, XLogP of 13.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazol-2-yl]-4,5-bis(2-chlorophenyl)-2-naphthalen-1-ylimidazole is sourced from PubChem (CID 19064229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).