2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole

C20H14Br2N2 — CID 17001152

IUPAC2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
SMILESBrc1ccc(-c2nc3ccccc3n2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C20H14Br2N2/c21-16-10-8-15(9-11-16)20-23-18-6-1-2-7-19(18)24(20)13-14-4-3-5-17(22)12-14/h1-12H,13H2
InChIKeySHZSPCCIFWJRHY-UHFFFAOYSA-N
MW442.15 g/mol
LogP6.28
Rot. Bonds3

About 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole

2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole (PubChem CID 17001152) has the molecular formula C20H14Br2N2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
PubChem CID17001152
Molecular FormulaC20H14Br2N2
Molecular Weight442.15 g/mol
Exact Mass439.95
IUPAC Name2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
SMILESBrc1ccc(-c2nc3ccccc3n2Cc2cccc(Br)c2)cc1
InChIInChI=1S/C20H14Br2N2/c21-16-10-8-15(9-11-16)20-23-18-6-1-2-7-19(18)24(20)13-14-4-3-5-17(22)12-14/h1-12H,13H2
InChIKeySHZSPCCIFWJRHY-UHFFFAOYSA-N
XLogP6.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.15
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
2-(4-bromophenyl)-1-[(2,4,6-trimethylphenyl)methyl]benzimidazole
CID 17001144
2-benzhydryl-1-[(3-bromophenyl)methyl]benzimidazole
CID 16987217
1-[(3-bromophenyl)methyl]-2-tert-butylbenzimidazole
CID 17000378
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
1-[(3-bromophenyl)methyl]-2-propylbenzimidazole
CID 115569313
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole (CID 17001152) is 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole is Brc1ccc(-c2nc3ccccc3n2Cc2cccc(Br)c2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
The InChIKey is SHZSPCCIFWJRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2/c21-16-10-8-15(9-11-16)20-23-18-6-1-2-7-19(18)24(20)13-14-4-3-5-17(22)12-14/h1-12H,13H2.
What are the key properties of 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole has a molecular weight of 442.15 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole is sourced from PubChem (CID 17001152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).