2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole

C23H17BrN2 — CID 129163447

IUPAC2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole
SMILESBrc1ccc2cc(-c3nc4ccccc4n3C3=CC=CCC3)ccc2c1
InChIInChI=1S/C23H17BrN2/c24-19-13-12-16-14-18(11-10-17(16)15-19)23-25-21-8-4-5-9-22(21)26(23)20-6-2-1-3-7-20/h1-2,4-6,8-15H,3,7H2
InChIKeyVDGQWIKMDFCDPN-UHFFFAOYSA-N
MW401.31 g/mol
LogP6.81
Rot. Bonds2

About 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole

2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole (PubChem CID 129163447) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole
PubChem CID129163447
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole
SMILESBrc1ccc2cc(-c3nc4ccccc4n3C3=CC=CCC3)ccc2c1
InChIInChI=1S/C23H17BrN2/c24-19-13-12-16-14-18(11-10-17(16)15-19)23-25-21-8-4-5-9-22(21)26(23)20-6-2-1-3-7-20/h1-2,4-6,8-15H,3,7H2
InChIKeyVDGQWIKMDFCDPN-UHFFFAOYSA-N
XLogP6.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
2-[4-(10-benzo[a]anthracen-4-ylanthracen-9-yl)phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 88966254
1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole
CID 70822200
2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole
CID 163975012
1-cyclohexa-1,3-dien-1-yl-2-(5-methyl-5-phenylcyclohepta-1,3,6-trien-1-yl)benzimidazole
CID 167084476
1-(10-naphthalen-2-ylanthracen-9-yl)-2-phenylbenzimidazole
CID 166510005
2-[3,5-bis(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]-3-cyclohexa-1,3-dien-1-ylimidazo[4,5-b]pyridine
CID 163874887
2-(4-bromophenyl)-1-phenylbenzimidazole
CID 23094070
1-[4-bromo-2-(2-phenylbenzimidazol-1-yl)phenyl]-2-phenylbenzimidazole
CID 141480526
2-[4-[10-(4-bromophenyl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58037722
1-[4-(10-naphthalen-2-yl-3,4-dihydroanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 147716479
2-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole;2-[7-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenanthren-2-yl]-1-phenylbenzimidazole
CID 158004452

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole (CID 129163447) is 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole is Brc1ccc2cc(-c3nc4ccccc4n3C3=CC=CCC3)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole?
The InChIKey is VDGQWIKMDFCDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-19-13-12-16-14-18(11-10-17(16)15-19)23-25-21-8-4-5-9-22(21)26(23)20-6-2-1-3-7-20/h1-2,4-6,8-15H,3,7H2.
What are the key properties of 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole?
2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole has a molecular weight of 401.31 g/mol, XLogP of 6.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-1-cyclohexa-1,3-dien-1-ylbenzimidazole is sourced from PubChem (CID 129163447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).