2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole

C33H23N3 — CID 170236430

IUPAC2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
SMILESCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccccc2-c2ccncc2)c2ccccc12
InChIInChI=1S/C33H23N3/c1-22-35-30-16-8-9-17-31(30)36(22)33-28-14-6-4-12-26(28)32(27-13-5-7-15-29(27)33)25-11-3-2-10-24(25)23-18-20-34-21-19-23/h2-21H,1H3
InChIKeyGXXJCELELPXPPJ-UHFFFAOYSA-N
MW461.57 g/mol
LogP8.37
Rot. Bonds3

About 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole

2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole (PubChem CID 170236430) has the molecular formula C33H23N3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
PubChem CID170236430
Molecular FormulaC33H23N3
Molecular Weight461.57 g/mol
Exact Mass461.19
IUPAC Name2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
SMILESCc1nc2ccccc2n1-c1c2ccccc2c(-c2ccccc2-c2ccncc2)c2ccccc12
InChIInChI=1S/C33H23N3/c1-22-35-30-16-8-9-17-31(30)36(22)33-28-14-6-4-12-26(28)32(27-13-5-7-15-29(27)33)25-11-3-2-10-24(25)23-18-20-34-21-19-23/h2-21H,1H3
InChIKeyGXXJCELELPXPPJ-UHFFFAOYSA-N
XLogP8.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.57
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole
CID 169071903
CID 174119899
CID 174119899
2-(1,1,2,2,2-pentadeuterioethyl)-1-[2-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169071779
2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-phenylphenyl)anthracen-9-yl]benzimidazole
CID 169071078
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
1-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-2-methylbenzimidazole
CID 170236349
2-(1,1,2,2,2-pentadeuterioethyl)-1-[10-(2-pyridin-3-ylphenyl)anthracen-9-yl]benzimidazole
CID 169070819
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-(2-pyridin-3-ylphenyl)anthracen-9-yl]benzimidazole
CID 169070696
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236795
1-(10-dibenzothiophen-2-ylanthracen-9-yl)-2-methylbenzimidazole
CID 170236799
2-methyl-1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070957

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole?
The IUPAC name of 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole (CID 170236430) is 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole?
The canonical SMILES for 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole is Cc1nc2ccccc2n1-c1c2ccccc2c(-c2ccccc2-c2ccncc2)c2ccccc12.
What is the InChIKey of 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole?
The InChIKey is GXXJCELELPXPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3/c1-22-35-30-16-8-9-17-31(30)36(22)33-28-14-6-4-12-26(28)32(27-13-5-7-15-29(27)33)25-11-3-2-10-24(25)23-18-20-34-21-19-23/h2-21H,1H3.
What are the key properties of 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole?
2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole has a molecular weight of 461.57 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[10-(2-pyridin-4-ylphenyl)anthracen-9-yl]benzimidazole is sourced from PubChem (CID 170236430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).