2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole

C15H18N2O — CID 67368518

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole
SMILESCOc1cccc2[nH]c(C3CC4CCC3C4)nc12
InChIInChI=1S/C15H18N2O/c1-18-13-4-2-3-12-14(13)17-15(16-12)11-8-9-5-6-10(11)7-9/h2-4,9-11H,5-8H2,1H3,(H,16,17)
InChIKeyMNUVDXJSVRVFLW-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole

2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole (PubChem CID 67368518) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole
PubChem CID67368518
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole
SMILESCOc1cccc2[nH]c(C3CC4CCC3C4)nc12
InChIInChI=1S/C15H18N2O/c1-18-13-4-2-3-12-14(13)17-15(16-12)11-8-9-5-6-10(11)7-9/h2-4,9-11H,5-8H2,1H3,(H,16,17)
InChIKeyMNUVDXJSVRVFLW-UHFFFAOYSA-N
XLogP3.48
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole (CID 67368518) is 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole is COc1cccc2[nH]c(C3CC4CCC3C4)nc12.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole?
The InChIKey is MNUVDXJSVRVFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-13-4-2-3-12-14(13)17-15(16-12)11-8-9-5-6-10(11)7-9/h2-4,9-11H,5-8H2,1H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole?
2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole has a molecular weight of 242.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole is sourced from PubChem (CID 67368518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).