5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole

C21H17N3 — CID 123753360

IUPAC5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc(-c2ccc3c(c2)n2c4ccccc4nc2n3C)c1
InChIInChI=1S/C21H17N3/c1-14-6-5-7-15(12-14)16-10-11-19-20(13-16)24-18-9-4-3-8-17(18)22-21(24)23(19)2/h3-13H,1-2H3
InChIKeyFEPHVAPHLUVHHZ-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.95
Rot. Bonds1

About 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole

5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole (PubChem CID 123753360) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
PubChem CID123753360
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
SMILESCc1cccc(-c2ccc3c(c2)n2c4ccccc4nc2n3C)c1
InChIInChI=1S/C21H17N3/c1-14-6-5-7-15(12-14)16-10-11-19-20(13-16)24-18-9-4-3-8-17(18)22-21(24)23(19)2/h3-13H,1-2H3
InChIKeyFEPHVAPHLUVHHZ-UHFFFAOYSA-N
XLogP4.95
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(4-phenylphenyl)phenyl]-2-[5-[4-(4-phenylphenyl)phenyl]benzimidazolo[1,2-a]benzimidazol-2-yl]benzimidazolo[1,2-a]benzimidazole
CID 140947989
3-[2-[4-[4-(5-methylbenzimidazolo[1,2-a]benzimidazol-2-yl)phenyl]phenyl]benzimidazolo[1,2-a]benzimidazol-5-yl]benzimidazolo[2,1-b][1,3]benzothiazole
CID 123594175
3-[3-(carbazol-9-ylmethyl)-4-methylphenyl]-5-methylbenzimidazolo[1,2-a]benzimidazole
CID 138571550
5-phenyl-2-(5-phenylbenzimidazolo[1,2-a]benzimidazol-2-yl)benzimidazolo[1,2-a]benzimidazole
CID 135379189
13-(3,5-dimethylphenyl)-1,3,10,16,23-pentazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-2,4,6,8,11,13,15(25),17,19,21,23-undecaene
CID 146652312
2,3-dimethyl-1-phenylimidazo[1,2-a]benzimidazole
CID 158748738
9-[3-(3-methylphenyl)phenyl]benzimidazolo[2,1-b][1,3]benzoxazole
CID 118874105
1,2,3-trimethylimidazo[1,2-a]benzimidazole
CID 157483248
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(4-phenylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 138463102
2-bromo-5-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole
CID 126759349
5-methylbenzimidazolo[1,2-a]benzimidazole;bis(9-methylcarbazole);2-methyldibenzofuran;3-methyldibenzofuran;4-methyldibenzofuran;toluene
CID 162116737
12,14-dimethyl-9-(3-methylphenyl)-17-(4-methylphenyl)-1,8,12,14-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,8,10,16-hexaene-13,15-dione
CID 5015181

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The IUPAC name of 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole (CID 123753360) is 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole.
What is the SMILES notation for 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The canonical SMILES for 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole is Cc1cccc(-c2ccc3c(c2)n2c4ccccc4nc2n3C)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
The InChIKey is FEPHVAPHLUVHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3/c1-14-6-5-7-15(12-14)16-10-11-19-20(13-16)24-18-9-4-3-8-17(18)22-21(24)23(19)2/h3-13H,1-2H3.
What are the key properties of 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole?
5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole has a molecular weight of 311.39 g/mol, XLogP of 4.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenyl)benzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 123753360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).