7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole

C18H20N2O — CID 67428331

IUPAC7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
SMILESCOc1ccc(C)c2nc(-c3ccc(C(C)C)cc3)[nH]c12
InChIInChI=1S/C18H20N2O/c1-11(2)13-6-8-14(9-7-13)18-19-16-12(3)5-10-15(21-4)17(16)20-18/h5-11H,1-4H3,(H,19,20)
InChIKeyJCCYRRYSPQVDAR-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.67
Rot. Bonds3

About 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole

7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole (PubChem CID 67428331) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
PubChem CID67428331
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
SMILESCOc1ccc(C)c2nc(-c3ccc(C(C)C)cc3)[nH]c12
InChIInChI=1S/C18H20N2O/c1-11(2)13-6-8-14(9-7-13)18-19-16-12(3)5-10-15(21-4)17(16)20-18/h5-11H,1-4H3,(H,19,20)
InChIKeyJCCYRRYSPQVDAR-UHFFFAOYSA-N
XLogP4.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
The IUPAC name of 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole (CID 67428331) is 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole is COc1ccc(C)c2nc(-c3ccc(C(C)C)cc3)[nH]c12.
What is the InChIKey of 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
The InChIKey is JCCYRRYSPQVDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11(2)13-6-8-14(9-7-13)18-19-16-12(3)5-10-15(21-4)17(16)20-18/h5-11H,1-4H3,(H,19,20).
What are the key properties of 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole?
7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole has a molecular weight of 280.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-methyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 67428331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).