2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole

C20H14BrN3 — CID 126759349

IUPAC2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc(-n2c3ccc(Br)cc3n3c4ccccc4nc23)c1
InChIInChI=1S/C20H14BrN3/c1-13-5-4-6-15(11-13)23-18-10-9-14(21)12-19(18)24-17-8-3-2-7-16(17)22-20(23)24/h2-12H,1H3
InChIKeyRURGSADUSGLUKD-UHFFFAOYSA-N
MW376.26 g/mol
LogP5.50
Rot. Bonds1

About 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole

2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 126759349) has the molecular formula C20H14BrN3 and a molecular weight of 376.26 g/mol. Its IUPAC name is 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID126759349
Molecular FormulaC20H14BrN3
Molecular Weight376.26 g/mol
Exact Mass375.04
IUPAC Name2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc(-n2c3ccc(Br)cc3n3c4ccccc4nc23)c1
InChIInChI=1S/C20H14BrN3/c1-13-5-4-6-15(11-13)23-18-10-9-14(21)12-19(18)24-17-8-3-2-7-16(17)22-20(23)24/h2-12H,1H3
InChIKeyRURGSADUSGLUKD-UHFFFAOYSA-N
XLogP5.50
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.26
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
[3-[2-(benzimidazolo[1,2-a]benzimidazol-5-yl)benzimidazolo[1,2-a]benzimidazol-5-yl]phenyl]-[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462949
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
5-[9-(3-bromophenyl)carbazol-3-yl]benzimidazolo[1,2-a]benzimidazole;4-(3-bromophenyl)-[1,2,4]triazolo[1,5-a]benzimidazole
CID 161328914
2-(benzimidazolo[1,2-a]benzimidazol-5-yl)-5-iodobenzimidazolo[1,2-a]benzimidazole
CID 134409735
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
4-carbazol-9-yl-17-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,8,15,17,19-pentazahexacyclo[16.7.0.02,7.08,16.09,14.020,25]pentacosa-2(7),3,5,9,11,13,15,18,20,22,24-undecaene
CID 122546209
2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole;2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-[3-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole;5-phenyl-2-(6-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole;9-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-5-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 159288172
[3-[3,6-bis(benzimidazolo[1,2-a]benzimidazol-5-yl)carbazol-9-yl]phenyl]-triphenylsilane
CID 171405556
3,21-bis(3-methylphenyl)-3,14,21,23-tetrazahexacyclo[11.10.0.02,10.04,9.014,22.015,20]tricosa-1(13),2(10),4,6,8,11,15,17,19,22-decaene
CID 156574320
5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 123753360

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 126759349) is 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole is Cc1cccc(-n2c3ccc(Br)cc3n3c4ccccc4nc23)c1.
What is the InChIKey of 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is RURGSADUSGLUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3/c1-13-5-4-6-15(11-13)23-18-10-9-14(21)12-19(18)24-17-8-3-2-7-16(17)22-20(23)24/h2-12H,1H3.
What are the key properties of 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 376.26 g/mol, XLogP of 5.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 126759349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).