2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole

C18H20N2 — CID 46310533

IUPAC2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2C(C)C)c(C)c1
InChIInChI=1S/C18H20N2/c1-12(2)20-17-8-6-5-7-16(17)19-18(20)15-10-9-13(3)11-14(15)4/h5-12H,1-4H3
InChIKeyUFKNHLZINZUBRJ-UHFFFAOYSA-N
MW264.37 g/mol
LogP4.90
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole

2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole (PubChem CID 46310533) has the molecular formula C18H20N2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
PubChem CID46310533
Molecular FormulaC18H20N2
Molecular Weight264.37 g/mol
Exact Mass264.16
IUPAC Name2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole
SMILESCc1ccc(-c2nc3ccccc3n2C(C)C)c(C)c1
InChIInChI=1S/C18H20N2/c1-12(2)20-17-8-6-5-7-16(17)19-18(20)15-10-9-13(3)11-14(15)4/h5-12H,1-4H3
InChIKeyUFKNHLZINZUBRJ-UHFFFAOYSA-N
XLogP4.90
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole (CID 46310533) is 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole is Cc1ccc(-c2nc3ccccc3n2C(C)C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole?
The InChIKey is UFKNHLZINZUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2/c1-12(2)20-17-8-6-5-7-16(17)19-18(20)15-10-9-13(3)11-14(15)4/h5-12H,1-4H3.
What are the key properties of 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole?
2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole has a molecular weight of 264.37 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 46310533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).