1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole

C35H26N2 — CID 89265079

IUPAC1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole
SMILESCc1ccc(-c2c3ccccc3c(-c3nc4ccccc4n3-c3ccccc3C)c3ccccc23)cc1
InChIInChI=1S/C35H26N2/c1-23-19-21-25(22-20-23)33-26-12-4-6-14-28(26)34(29-15-7-5-13-27(29)33)35-36-30-16-8-10-18-32(30)37(35)31-17-9-3-11-24(31)2/h3-22H,1-2H3
InChIKeyBMJSFMSYEUBVIW-UHFFFAOYSA-N
MW474.61 g/mol
LogP9.28
Rot. Bonds3

About 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole

1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole (PubChem CID 89265079) has the molecular formula C35H26N2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole.

Molecular Properties

Compound Name1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole
PubChem CID89265079
Molecular FormulaC35H26N2
Molecular Weight474.61 g/mol
Exact Mass474.21
IUPAC Name1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole
SMILESCc1ccc(-c2c3ccccc3c(-c3nc4ccccc4n3-c3ccccc3C)c3ccccc23)cc1
InChIInChI=1S/C35H26N2/c1-23-19-21-25(22-20-23)33-26-12-4-6-14-28(26)34(29-15-7-5-13-27(29)33)35-36-30-16-8-10-18-32(30)37(35)31-17-9-3-11-24(31)2/h3-22H,1-2H3
InChIKeyBMJSFMSYEUBVIW-UHFFFAOYSA-N
XLogP9.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.61
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-bis[1-(2-methylphenyl)benzimidazol-2-yl]phenyl]-1-(2-methylphenyl)benzimidazole
CID 23399455
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
CID 170235498
4-[1-(2-methylphenyl)benzimidazol-2-yl]-N,N-diphenylaniline
CID 21356945
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
1-naphthalen-1-yl-2-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]benzimidazole
CID 170236310
1-[2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169070276
2-[4-[10-(6-methylnaphthalen-2-yl)anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58876120
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
1-[2-[9,10-diphenyl-6-[2-(2-phenylbenzimidazol-1-yl)phenyl]anthracen-2-yl]phenyl]-2-phenylbenzimidazole
CID 58953786
1-(1-methylpyridin-1-ium-4-yl)-2-[4-[10-(1-methylpyridin-1-ium-4-yl)anthracen-9-yl]phenyl]benzimidazole
CID 123592468

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole?
The IUPAC name of 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole (CID 89265079) is 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole.
What is the SMILES notation for 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole?
The canonical SMILES for 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole is Cc1ccc(-c2c3ccccc3c(-c3nc4ccccc4n3-c3ccccc3C)c3ccccc23)cc1.
What is the InChIKey of 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole?
The InChIKey is BMJSFMSYEUBVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2/c1-23-19-21-25(22-20-23)33-26-12-4-6-14-28(26)34(29-15-7-5-13-27(29)33)35-36-30-16-8-10-18-32(30)37(35)31-17-9-3-11-24(31)2/h3-22H,1-2H3.
What are the key properties of 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole?
1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole has a molecular weight of 474.61 g/mol, XLogP of 9.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-2-[10-(4-methylphenyl)anthracen-9-yl]benzimidazole is sourced from PubChem (CID 89265079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).