1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole

C28H26N2 — CID 166657827

IUPAC1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
SMILESCc1cc(-c2ccccc2)c(N2c3ccccc3N(C)C2C)c(-c2ccccc2)c1
InChIInChI=1S/C28H26N2/c1-20-18-24(22-12-6-4-7-13-22)28(25(19-20)23-14-8-5-9-15-23)30-21(2)29(3)26-16-10-11-17-27(26)30/h4-19,21H,1-3H3
InChIKeyJPUGNXJAHSRYIU-UHFFFAOYSA-N
MW390.53 g/mol
LogP7.26
Rot. Bonds3

About 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole

1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole (PubChem CID 166657827) has the molecular formula C28H26N2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole.

Molecular Properties

Compound Name1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
PubChem CID166657827
Molecular FormulaC28H26N2
Molecular Weight390.53 g/mol
Exact Mass390.21
IUPAC Name1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole
SMILESCc1cc(-c2ccccc2)c(N2c3ccccc3N(C)C2C)c(-c2ccccc2)c1
InChIInChI=1S/C28H26N2/c1-20-18-24(22-12-6-4-7-13-22)28(25(19-20)23-14-8-5-9-15-23)30-21(2)29(3)26-16-10-11-17-27(26)30/h4-19,21H,1-3H3
InChIKeyJPUGNXJAHSRYIU-UHFFFAOYSA-N
XLogP7.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole?
The IUPAC name of 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole (CID 166657827) is 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole.
What is the SMILES notation for 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole?
The canonical SMILES for 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole is Cc1cc(-c2ccccc2)c(N2c3ccccc3N(C)C2C)c(-c2ccccc2)c1.
What is the InChIKey of 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole?
The InChIKey is JPUGNXJAHSRYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2/c1-20-18-24(22-12-6-4-7-13-22)28(25(19-20)23-14-8-5-9-15-23)30-21(2)29(3)26-16-10-11-17-27(26)30/h4-19,21H,1-3H3.
What are the key properties of 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole?
1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole has a molecular weight of 390.53 g/mol, XLogP of 7.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-(4-methyl-2,6-diphenylphenyl)-2H-benzimidazole is sourced from PubChem (CID 166657827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).