2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole

C34H24N2 — CID 170235498

IUPAC2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C34H24N2/c1-23-35-30-20-10-12-22-32(30)36(23)31-21-11-9-19-29(31)34-27-17-7-5-15-25(27)33(24-13-3-2-4-14-24)26-16-6-8-18-28(26)34/h2-22H,1H3
InChIKeyHDYGNBFSRJWUGI-UHFFFAOYSA-N
MW460.58 g/mol
LogP8.97
Rot. Bonds3

About 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole

2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole (PubChem CID 170235498) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
PubChem CID170235498
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole
SMILESCc1nc2ccccc2n1-c1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12
InChIInChI=1S/C34H24N2/c1-23-35-30-20-10-12-22-32(30)36(23)31-21-11-9-19-29(31)34-27-17-7-5-15-25(27)33(24-13-3-2-4-14-24)26-16-6-8-18-28(26)34/h2-22H,1H3
InChIKeyHDYGNBFSRJWUGI-UHFFFAOYSA-N
XLogP8.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 58.97
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

1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690
2-methyl-1-[8-(2-methylbenzimidazol-1-yl)-10-(10-phenylanthracen-9-yl)anthracen-1-yl]benzimidazole
CID 155333103
1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
CID 170236099
2-methyl-1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2-phenylphenyl)anthracen-9-yl]phenyl]benzimidazole
CID 169070957
1-[2-[3,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 169072041
2-methyl-1-[2-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 169071310
2-methyl-1-[4-[10-[4-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 87412320
1-[2-[10-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]phenyl]-2-phenylbenzimidazole
CID 169070276
1-[4-[10-(3,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 58898414
1-[4-[10-(2,5-diphenylphenyl)anthracen-9-yl]phenyl]-2-methylbenzimidazole
CID 139519792
1-[2-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-2-phenylbenzimidazole
CID 166509851
2-methyl-1-[4-[10-[3-(4-phenylphenyl)phenyl]anthracen-9-yl]phenyl]benzimidazole
CID 59408445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole?
The IUPAC name of 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole (CID 170235498) is 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole is Cc1nc2ccccc2n1-c1ccccc1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.
What is the InChIKey of 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole?
The InChIKey is HDYGNBFSRJWUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-23-35-30-20-10-12-22-32(30)36(23)31-21-11-9-19-29(31)34-27-17-7-5-15-25(27)33(24-13-3-2-4-14-24)26-16-6-8-18-28(26)34/h2-22H,1H3.
What are the key properties of 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole?
2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole has a molecular weight of 460.58 g/mol, XLogP of 8.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(10-phenylanthracen-9-yl)phenyl]benzimidazole is sourced from PubChem (CID 170235498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).