1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole

C24H19N3 — CID 166885806

IUPAC1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole
SMILESC1=CC(n2c(-c3cc(-c4ccccc4)ccn3)nc3ccccc32)=CCC1
InChIInChI=1S/C24H19N3/c1-3-9-18(10-4-1)19-15-16-25-22(17-19)24-26-21-13-7-8-14-23(21)27(24)20-11-5-2-6-12-20/h1,3-5,7-17H,2,6H2
InChIKeyUEHJEGWRCHLBBK-UHFFFAOYSA-N
MW349.44 g/mol
LogP5.96
Rot. Bonds3

About 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole

1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole (PubChem CID 166885806) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole
PubChem CID166885806
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole
SMILESC1=CC(n2c(-c3cc(-c4ccccc4)ccn3)nc3ccccc32)=CCC1
InChIInChI=1S/C24H19N3/c1-3-9-18(10-4-1)19-15-16-25-22(17-19)24-26-21-13-7-8-14-23(21)27(24)20-11-5-2-6-12-20/h1,3-5,7-17H,2,6H2
InChIKeyUEHJEGWRCHLBBK-UHFFFAOYSA-N
XLogP5.96
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,5-dien-1-ylbenzimidazole
CID 146493059
1-cyclohexa-1,5-dien-1-yl-2-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]benzimidazole
CID 89285985
3-[3-[2-[3-(1-cyclohexa-1,5-dien-1-ylbenzimidazol-2-yl)-5-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazol-1-yl]phenyl]-9-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 144924373
4-(4-cyclohexa-1,5-dien-1-ylphenyl)-2-(4-phenylphenyl)pyridine
CID 138636514
2-phenyl-1-[4-[5-(4-phenyl-2-pyridinyl)benzo[c]phenanthren-8-yl]phenyl]benzimidazole
CID 147440620
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 123699580
1-methyl-2-[3-[3-(4-phenyl-2-pyridinyl)phenoxy]phenyl]benzimidazole
CID 162138399
osmium(2+);bis(4-phenyl-2-(4-phenyl-2-pyridinyl)pyridine)
CID 159449942
2-[4-[10-(2-cyclohexa-1,5-dien-1-ylphenyl)-9-(2-phenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 166907609
1-cyclohexa-1,5-dien-1-yl-2-[3-[10-[3-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]-3,4-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]benzimidazole
CID 89218102
3-(9-cyclohexa-1,5-dien-1-ylcarbazol-3-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 149407778
9-cyclohexa-1,5-dien-1-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 155112233

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole (CID 166885806) is 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole is C1=CC(n2c(-c3cc(-c4ccccc4)ccn3)nc3ccccc32)=CCC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole?
The InChIKey is UEHJEGWRCHLBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3/c1-3-9-18(10-4-1)19-15-16-25-22(17-19)24-26-21-13-7-8-14-23(21)27(24)20-11-5-2-6-12-20/h1,3-5,7-17H,2,6H2.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole?
1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole has a molecular weight of 349.44 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole is sourced from PubChem (CID 166885806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).