4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole

C20H22N4O — CID 130321623

IUPAC4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole
SMILESCOc1cccc2[nH]c(CCC(C)c3cccc4[nH]c(C)nc34)nc12
InChIInChI=1S/C20H22N4O/c1-12(14-6-4-7-15-19(14)22-13(2)21-15)10-11-18-23-16-8-5-9-17(25-3)20(16)24-18/h4-9,12H,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXLNJHFBJICCRBZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.49
Rot. Bonds5

About 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole

4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole (PubChem CID 130321623) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole.

Molecular Properties

Compound Name4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole
PubChem CID130321623
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole
SMILESCOc1cccc2[nH]c(CCC(C)c3cccc4[nH]c(C)nc34)nc12
InChIInChI=1S/C20H22N4O/c1-12(14-6-4-7-15-19(14)22-13(2)21-15)10-11-18-23-16-8-5-9-17(25-3)20(16)24-18/h4-9,12H,10-11H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyXLNJHFBJICCRBZ-UHFFFAOYSA-N
XLogP4.49
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole?
The IUPAC name of 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole (CID 130321623) is 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole.
What is the SMILES notation for 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole?
The canonical SMILES for 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole is COc1cccc2[nH]c(CCC(C)c3cccc4[nH]c(C)nc34)nc12.
What is the InChIKey of 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole?
The InChIKey is XLNJHFBJICCRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-12(14-6-4-7-15-19(14)22-13(2)21-15)10-11-18-23-16-8-5-9-17(25-3)20(16)24-18/h4-9,12H,10-11H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole?
4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole has a molecular weight of 334.42 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[3-(2-methyl-1H-benzimidazol-4-yl)butyl]-1H-benzimidazole is sourced from PubChem (CID 130321623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).