5-(3-bromophenyl)-1,2-diphenylbenzimidazole

C25H17BrN2 — CID 122424996

IUPAC5-(3-bromophenyl)-1,2-diphenylbenzimidazole
SMILESBrc1cccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)c1
InChIInChI=1S/C25H17BrN2/c26-21-11-7-10-19(16-21)20-14-15-24-23(17-20)27-25(18-8-3-1-4-9-18)28(24)22-12-5-2-6-13-22/h1-17H
InChIKeyAMEANWLAJYQNNG-UHFFFAOYSA-N
MW425.33 g/mol
LogP7.12
Rot. Bonds3

About 5-(3-bromophenyl)-1,2-diphenylbenzimidazole

5-(3-bromophenyl)-1,2-diphenylbenzimidazole (PubChem CID 122424996) has the molecular formula C25H17BrN2 and a molecular weight of 425.33 g/mol. Its IUPAC name is 5-(3-bromophenyl)-1,2-diphenylbenzimidazole.

Molecular Properties

Compound Name5-(3-bromophenyl)-1,2-diphenylbenzimidazole
PubChem CID122424996
Molecular FormulaC25H17BrN2
Molecular Weight425.33 g/mol
Exact Mass424.06
IUPAC Name5-(3-bromophenyl)-1,2-diphenylbenzimidazole
SMILESBrc1cccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)c1
InChIInChI=1S/C25H17BrN2/c26-21-11-7-10-19(16-21)20-14-15-24-23(17-20)27-25(18-8-3-1-4-9-18)28(24)22-12-5-2-6-13-22/h1-17H
InChIKeyAMEANWLAJYQNNG-UHFFFAOYSA-N
XLogP7.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.33
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-hexacyclo[24.4.0.02,7.08,13.014,19.020,25]triaconta-1(30),2(7),3,5,8,10,12,14,16,18,20,22,24,26,28-pentadecaenyl)-1,2-diphenylbenzimidazole
CID 130269142
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
5-[4-[6-[4-(1,2-diphenylbenzimidazol-5-yl)phenyl]-9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1,2-diphenylbenzimidazole
CID 58953757
5-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 88598537
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1,2-diphenyl-5-(26-thiahexacyclo[25.4.0.02,7.08,13.014,19.020,25]hentriaconta-1(31),2(7),3,5,8,10,12,14,16,18,20,22,24,27,29-pentadecaen-4-yl)benzimidazole
CID 134571968
1,2-diphenyl-5-spiro[fluorene-9,12'-pentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene]-7'-ylbenzimidazole
CID 137494282
1-phenyl-2-(3-phenylphenyl)-5-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 59010697
5-(4-bromophenyl)-2-ethyl-1-phenylbenzimidazole
CID 162513572
5-[4-(6-naphthalen-1-yl-9,10-diphenylanthracen-2-yl)phenyl]-1,2-diphenylbenzimidazole
CID 58953645
5-(12-naphthalen-2-ylchrysen-6-yl)-1,2-diphenylbenzimidazole
CID 143743337

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole?
The IUPAC name of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole (CID 122424996) is 5-(3-bromophenyl)-1,2-diphenylbenzimidazole.
What is the SMILES notation for 5-(3-bromophenyl)-1,2-diphenylbenzimidazole?
The canonical SMILES for 5-(3-bromophenyl)-1,2-diphenylbenzimidazole is Brc1cccc(-c2ccc3c(c2)nc(-c2ccccc2)n3-c2ccccc2)c1.
What is the InChIKey of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole?
The InChIKey is AMEANWLAJYQNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrN2/c26-21-11-7-10-19(16-21)20-14-15-24-23(17-20)27-25(18-8-3-1-4-9-18)28(24)22-12-5-2-6-13-22/h1-17H.
What are the key properties of 5-(3-bromophenyl)-1,2-diphenylbenzimidazole?
5-(3-bromophenyl)-1,2-diphenylbenzimidazole has a molecular weight of 425.33 g/mol, XLogP of 7.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-1,2-diphenylbenzimidazole is sourced from PubChem (CID 122424996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).