1-benzyl-3-phenyl-2H-imidazole;dihydrobromide

C16H18Br2N2 — CID 174997401

IUPAC1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
SMILESBr.Br.C1=CN(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C16H16N2.2BrH/c1-3-7-15(8-4-1)13-17-11-12-18(14-17)16-9-5-2-6-10-16;;/h1-12H,13-14H2;2*1H
InChIKeyFBIVJMGTRFHZMD-UHFFFAOYSA-N
MW398.14 g/mol
LogP4.59
Rot. Bonds3

About 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide

1-benzyl-3-phenyl-2H-imidazole;dihydrobromide (PubChem CID 174997401) has the molecular formula C16H18Br2N2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide.

Molecular Properties

Compound Name1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
PubChem CID174997401
Molecular FormulaC16H18Br2N2
Molecular Weight398.14 g/mol
Exact Mass395.98
IUPAC Name1-benzyl-3-phenyl-2H-imidazole;dihydrobromide
SMILESBr.Br.C1=CN(c2ccccc2)CN1Cc1ccccc1
InChIInChI=1S/C16H16N2.2BrH/c1-3-7-15(8-4-1)13-17-11-12-18(14-17)16-9-5-2-6-10-16;;/h1-12H,13-14H2;2*1H
InChIKeyFBIVJMGTRFHZMD-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[3-(3-benzyl-2H-imidazol-1-yl)phenyl]-2H-imidazole;dihydrobromide
CID 175897383
1-benzyl-3-[4-(trifluoromethylsulfanyl)phenyl]-2H-imidazole
CID 163299597
1-benzyl-3-methyl-2H-imidazole
CID 18674614
2-(3-phenyl-2H-imidazol-1-yl)ethanol
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1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole
CID 58478707
1-benzyl-3-ethenyl-2H-imidazole;hydrobromide
CID 175370987
1-benzyl-3-[(4-bromophenyl)methyl]-2H-imidazole bromide
CID 162319064
1-octyl-3-phenyl-2H-imidazole
CID 69387944
1-benzyl-3-decyl-2H-imidazole
CID 69393600
1-benzyl-3-methyl-2,3-dihydropyrrole
CID 152546116
3-[[3-(4-phenylmethoxyphenyl)-2H-imidazol-1-yl]methyl]-1,2-oxazole
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4-[[3-[4-bromo-3,5-bis[3-[(4-formylphenyl)methyl]-2H-imidazol-1-yl]phenyl]-2H-imidazol-1-yl]methyl]benzaldehyde
CID 164900846

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide?
The IUPAC name of 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide (CID 174997401) is 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide.
What is the SMILES notation for 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide?
The canonical SMILES for 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide is Br.Br.C1=CN(c2ccccc2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide?
The InChIKey is FBIVJMGTRFHZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2.2BrH/c1-3-7-15(8-4-1)13-17-11-12-18(14-17)16-9-5-2-6-10-16;;/h1-12H,13-14H2;2*1H.
What are the key properties of 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide?
1-benzyl-3-phenyl-2H-imidazole;dihydrobromide has a molecular weight of 398.14 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-2H-imidazole;dihydrobromide is sourced from PubChem (CID 174997401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).