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

C20H14Br2N2 — CID 4624826

IUPAC2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
SMILESBrc1cccc(Cn2c(-c3cccc(Br)c3)nc3ccccc32)c1
InChIInChI=1S/C20H14Br2N2/c21-16-7-3-5-14(11-16)13-24-19-10-2-1-9-18(19)23-20(24)15-6-4-8-17(22)12-15/h1-12H,13H2
InChIKeyHPLYIZZNQKEBOW-UHFFFAOYSA-N
MW442.15 g/mol
LogP6.28
Rot. Bonds3

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

2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole (PubChem CID 4624826) has the molecular formula C20H14Br2N2 and a molecular weight of 442.15 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
PubChem CID4624826
Molecular FormulaC20H14Br2N2
Molecular Weight442.15 g/mol
Exact Mass439.95
IUPAC Name2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
SMILESBrc1cccc(Cn2c(-c3cccc(Br)c3)nc3ccccc32)c1
InChIInChI=1S/C20H14Br2N2/c21-16-7-3-5-14(11-16)13-24-19-10-2-1-9-18(19)23-20(24)15-6-4-8-17(22)12-15/h1-12H,13H2
InChIKeyHPLYIZZNQKEBOW-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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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole (CID 4624826) is 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole is Brc1cccc(Cn2c(-c3cccc(Br)c3)nc3ccccc32)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
The InChIKey is HPLYIZZNQKEBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Br2N2/c21-16-7-3-5-14(11-16)13-24-19-10-2-1-9-18(19)23-20(24)15-6-4-8-17(22)12-15/h1-12H,13H2.
What are the key properties of 2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole?
2-(3-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-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole is sourced from PubChem (CID 4624826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).