2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole

C28H32N2 — CID 167538655

IUPAC2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole
SMILESCc1cc(C)c(-c2cccc3c2nc(Cc2c(C)cccc2C)n3C(C)C)c(C)c1
InChIInChI=1S/C28H32N2/c1-17(2)30-25-13-9-12-23(27-21(6)14-18(3)15-22(27)7)28(25)29-26(30)16-24-19(4)10-8-11-20(24)5/h8-15,17H,16H2,1-7H3
InChIKeyAEEOEQYIDRANSF-UHFFFAOYSA-N
MW396.58 g/mol
LogP7.42
Rot. Bonds4

About 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole

2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole (PubChem CID 167538655) has the molecular formula C28H32N2 and a molecular weight of 396.58 g/mol. Its IUPAC name is 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole.

Molecular Properties

Compound Name2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole
PubChem CID167538655
Molecular FormulaC28H32N2
Molecular Weight396.58 g/mol
Exact Mass396.26
IUPAC Name2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole
SMILESCc1cc(C)c(-c2cccc3c2nc(Cc2c(C)cccc2C)n3C(C)C)c(C)c1
InChIInChI=1S/C28H32N2/c1-17(2)30-25-13-9-12-23(27-21(6)14-18(3)15-22(27)7)28(25)29-26(30)16-24-19(4)10-8-11-20(24)5/h8-15,17H,16H2,1-7H3
InChIKeyAEEOEQYIDRANSF-UHFFFAOYSA-N
XLogP7.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.58
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole?
The IUPAC name of 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole (CID 167538655) is 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole.
What is the SMILES notation for 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole?
The canonical SMILES for 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole is Cc1cc(C)c(-c2cccc3c2nc(Cc2c(C)cccc2C)n3C(C)C)c(C)c1.
What is the InChIKey of 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole?
The InChIKey is AEEOEQYIDRANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2/c1-17(2)30-25-13-9-12-23(27-21(6)14-18(3)15-22(27)7)28(25)29-26(30)16-24-19(4)10-8-11-20(24)5/h8-15,17H,16H2,1-7H3.
What are the key properties of 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole?
2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole has a molecular weight of 396.58 g/mol, XLogP of 7.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylphenyl)methyl]-1-propan-2-yl-4-(2,4,6-trimethylphenyl)benzimidazole is sourced from PubChem (CID 167538655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).