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

C40H28Br4N4 — CID 139086636

IUPAC2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
SMILESBrc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1.Brc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/2C20H14Br2N2/c2*21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h2*1-12H,13H2
InChIKeyUNFNXBYYJNYYAP-UHFFFAOYSA-N
MW884.31 g/mol
LogP12.55
Rot. Bonds6

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

2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole (PubChem CID 139086636) has the molecular formula C40H28Br4N4 and a molecular weight of 884.31 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
PubChem CID139086636
Molecular FormulaC40H28Br4N4
Molecular Weight884.31 g/mol
Exact Mass879.90
IUPAC Name2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
SMILESBrc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1.Brc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1
InChIInChI=1S/2C20H14Br2N2/c2*21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h2*1-12H,13H2
InChIKeyUNFNXBYYJNYYAP-UHFFFAOYSA-N
XLogP12.55
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.31
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole?
The IUPAC name of 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole (CID 139086636) is 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole is Brc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1.Brc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1.
What is the InChIKey of 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole?
The InChIKey is UNFNXBYYJNYYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H14Br2N2/c2*21-16-9-5-14(6-10-16)13-24-19-4-2-1-3-18(19)23-20(24)15-7-11-17(22)12-8-15/h2*1-12H,13H2.
What are the key properties of 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole?
2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole has a molecular weight of 884.31 g/mol, XLogP of 12.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole is sourced from PubChem (CID 139086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).