1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide

C26H28Br2N4 — CID 175897383

IUPAC1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
SMILESBr.Br.C1=CN(c2cccc(N3C=CN(Cc4ccccc4)C3)c2)CN1Cc1ccccc1
InChIInChI=1S/C26H26N4.2BrH/c1-3-8-23(9-4-1)19-27-14-16-29(21-27)25-12-7-13-26(18-25)30-17-15-28(22-30)20-24-10-5-2-6-11-24;;/h1-18H,19-22H2;2*1H
InChIKeyVNSNPBSRCBVMJK-UHFFFAOYSA-N
MW556.35 g/mol
LogP6.34
Rot. Bonds6

About 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide

1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide (PubChem CID 175897383) has the molecular formula C26H28Br2N4 and a molecular weight of 556.35 g/mol. Its IUPAC name is 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide.

Molecular Properties

Compound Name1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
PubChem CID175897383
Molecular FormulaC26H28Br2N4
Molecular Weight556.35 g/mol
Exact Mass554.07
IUPAC Name1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
SMILESBr.Br.C1=CN(c2cccc(N3C=CN(Cc4ccccc4)C3)c2)CN1Cc1ccccc1
InChIInChI=1S/C26H26N4.2BrH/c1-3-8-23(9-4-1)19-27-14-16-29(21-27)25-12-7-13-26(18-25)30-17-15-28(22-30)20-24-10-5-2-6-11-24;;/h1-18H,19-22H2;2*1H
InChIKeyVNSNPBSRCBVMJK-UHFFFAOYSA-N
XLogP6.34
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.35
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide?
The IUPAC name of 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide (CID 175897383) is 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide.
What is the SMILES notation for 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide?
The canonical SMILES for 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide is Br.Br.C1=CN(c2cccc(N3C=CN(Cc4ccccc4)C3)c2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide?
The InChIKey is VNSNPBSRCBVMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4.2BrH/c1-3-8-23(9-4-1)19-27-14-16-29(21-27)25-12-7-13-26(18-25)30-17-15-28(22-30)20-24-10-5-2-6-11-24;;/h1-18H,19-22H2;2*1H.
What are the key properties of 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide?
1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide has a molecular weight of 556.35 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide is sourced from PubChem (CID 175897383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).