2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole

C15H18N2O — CID 65018013

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CC4CCC3C4)[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-18-11-4-5-13-14(8-11)17-15(16-13)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDMDKZWPURZQNFZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.48
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole

2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole (PubChem CID 65018013) 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)-6-methoxy-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
PubChem CID65018013
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole
SMILESCOc1ccc2nc(C3CC4CCC3C4)[nH]c2c1
InChIInChI=1S/C15H18N2O/c1-18-11-4-5-13-14(8-11)17-15(16-13)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyDMDKZWPURZQNFZ-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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Related Compounds

2-[(3S,5R)-2-azabicyclo[3.1.0]hexan-3-yl]-6-methoxy-1H-benzimidazole
CID 170441730
2-(2-bicyclo[2.2.1]heptanyl)-4-methoxy-1H-benzimidazole
CID 67368518
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-methoxy-2-[(3R)-pyrrolidin-3-yl]-1H-benzimidazole
CID 129371343
(1R,2R,4S)-2-(4-methoxyphenyl)bicyclo[2.2.1]heptane
CID 101158229
6-methoxy-2-(1-methylpyrrolidin-2-yl)-1H-benzimidazole
CID 170441623
6-methoxy-2-[(1S,2R)-2-(7-methoxy-1,3-benzodioxol-5-yl)cyclopropyl]-1H-benzimidazole
CID 155814611
4-(6-methoxy-1H-benzimidazol-2-yl)-2,3,3-trimethylcyclohexan-1-amine
CID 102628130
2-(1-cyclobutylpyrrolidin-3-yl)-6-methoxy-1H-benzimidazole
CID 75131970
2-[2-[6-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-6-methoxy-1H-benzimidazole
CID 71547547
6-methoxy-2-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-1H-benzimidazole
CID 75131980
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole (CID 65018013) is 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole is COc1ccc2nc(C3CC4CCC3C4)[nH]c2c1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole?
The InChIKey is DMDKZWPURZQNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-11-4-5-13-14(8-11)17-15(16-13)12-7-9-2-3-10(12)6-9/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-6-methoxy-1H-benzimidazole?
2-(2-bicyclo[2.2.1]heptanyl)-6-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)-6-methoxy-1H-benzimidazole is sourced from PubChem (CID 65018013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).