2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole

C19H17BrN2 — CID 163975012

IUPAC2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole
SMILESBrc1cccc(-c2nc3c(n2C2=CC=CCC2)C=CCC3)c1
InChIInChI=1S/C19H17BrN2/c20-15-8-6-7-14(13-15)19-21-17-11-4-5-12-18(17)22(19)16-9-2-1-3-10-16/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeySTHYEXLZIZHOFM-UHFFFAOYSA-N
MW353.26 g/mol
LogP5.46
Rot. Bonds2

About 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole

2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole (PubChem CID 163975012) has the molecular formula C19H17BrN2 and a molecular weight of 353.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole
PubChem CID163975012
Molecular FormulaC19H17BrN2
Molecular Weight353.26 g/mol
Exact Mass352.06
IUPAC Name2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole
SMILESBrc1cccc(-c2nc3c(n2C2=CC=CCC2)C=CCC3)c1
InChIInChI=1S/C19H17BrN2/c20-15-8-6-7-14(13-15)19-21-17-11-4-5-12-18(17)22(19)16-9-2-1-3-10-16/h1-2,5-9,12-13H,3-4,10-11H2
InChIKeySTHYEXLZIZHOFM-UHFFFAOYSA-N
XLogP5.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.26
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[10-(4-methylphenyl)anthracen-9-yl]-1-phenyl-4,5-dihydrobenzimidazole
CID 89265105
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,3-dien-1-ylbenzimidazole
CID 149340747
6-(3-bromophenyl)-1,2-dihydronaphthalene
CID 143742430
3-cyclohexa-1,3-dien-1-yl-2-[4-[10-(4-methyl-6-phenylcyclohexa-1,5-dien-1-yl)-9-(2-phenylphenyl)anthracen-2-yl]phenyl]-4,5-dihydrobenzimidazole
CID 166715883
1-phenyl-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 70894526
1-cyclohexa-1,3-dien-1-yl-2-methylquinazolin-4-one
CID 53440912
1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 143449279
2-[3-(1-buta-1,3-dien-2-yl-4,5-dimethylimidazol-2-yl)-5-(1-phenyl-4,5-dihydrobenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 145421665
ethane;1-(3-methyl-2-pyridinyl)-2-pyridin-2-yl-4,5-dihydrobenzimidazole
CID 143449278
2,7-dibromo-10-cyclohexa-1,3-dien-1-yl-5-phenyl-5a,9a-dihydroindolo[3,2-b]indole
CID 145073971
9-cyclohexa-1,3-dien-1-yl-1-[9-(4-phenylphenyl)-7,8-dihydrocarbazol-1-yl]carbazole
CID 169037269
1-cyclohexa-1,3-dien-1-yl-2-[4-[7-(4-methylphenyl)-9,9-diphenylfluoren-2-yl]phenyl]benzimidazole
CID 70822200

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole (CID 163975012) is 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole is Brc1cccc(-c2nc3c(n2C2=CC=CCC2)C=CCC3)c1.
What is the InChIKey of 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole?
The InChIKey is STHYEXLZIZHOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2/c20-15-8-6-7-14(13-15)19-21-17-11-4-5-12-18(17)22(19)16-9-2-1-3-10-16/h1-2,5-9,12-13H,3-4,10-11H2.
What are the key properties of 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole?
2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole has a molecular weight of 353.26 g/mol, XLogP of 5.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-cyclohexa-1,3-dien-1-yl-4,5-dihydrobenzimidazole is sourced from PubChem (CID 163975012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).