1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole

C19H12BrN3 — CID 140911181

IUPAC1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESBrc1cccc2nc3n(-c4ccccc4)c4ccccc4n3c12
InChIInChI=1S/C19H12BrN3/c20-14-9-6-10-15-18(14)23-17-12-5-4-11-16(17)22(19(23)21-15)13-7-2-1-3-8-13/h1-12H
InChIKeyBPKKWGBFWVPRPO-UHFFFAOYSA-N
MW362.23 g/mol
LogP5.19
Rot. Bonds1

About 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole

1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 140911181) has the molecular formula C19H12BrN3 and a molecular weight of 362.23 g/mol. Its IUPAC name is 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole
PubChem CID140911181
Molecular FormulaC19H12BrN3
Molecular Weight362.23 g/mol
Exact Mass361.02
IUPAC Name1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole
SMILESBrc1cccc2nc3n(-c4ccccc4)c4ccccc4n3c12
InChIInChI=1S/C19H12BrN3/c20-14-9-6-10-15-18(14)23-17-12-5-4-11-16(17)22(19(23)21-15)13-7-2-1-3-8-13/h1-12H
InChIKeyBPKKWGBFWVPRPO-UHFFFAOYSA-N
XLogP5.19
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.23
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazole
CID 170284536
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
bis[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-diphenylsilane
CID 153462912
5-(2-phenylbenzotriazol-5-yl)benzimidazolo[1,2-a]benzimidazole
CID 118429566
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
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
9,13-diphenyl-16-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)-1,9,11,13-tetrazapentacyclo[10.7.0.02,10.03,8.014,19]nonadeca-2(10),3,5,7,11,14(19),15,17-octaene
CID 154646730
2-bromo-1-phenylbenzimidazole
CID 84810012
[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
N-[4-[4-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 139480243
2-ethyl-6-phenylbenzimidazolo[1,2-a]benzimidazole
CID 123894505
3-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole;1,4-dibromo-2-fluorobenzene;1-phenylbenzimidazol-2-amine
CID 157473881

Frequently Asked Questions

What is the IUPAC name of 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole (CID 140911181) is 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole is Brc1cccc2nc3n(-c4ccccc4)c4ccccc4n3c12.
What is the InChIKey of 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole?
The InChIKey is BPKKWGBFWVPRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrN3/c20-14-9-6-10-15-18(14)23-17-12-5-4-11-16(17)22(19(23)21-15)13-7-2-1-3-8-13/h1-12H.
What are the key properties of 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole?
1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 362.23 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-6-phenylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 140911181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).