2-(2-methoxycycloheptyl)-1H-imidazole

C11H18N2O — CID 57102708

IUPAC2-(2-methoxycycloheptyl)-1H-imidazole
SMILESCOC1CCCCCC1c1ncc[nH]1
InChIInChI=1S/C11H18N2O/c1-14-10-6-4-2-3-5-9(10)11-12-7-8-13-11/h7-10H,2-6H2,1H3,(H,12,13)
InChIKeyBHEFAEZVIOVUPS-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.47
Rot. Bonds2

About 2-(2-methoxycycloheptyl)-1H-imidazole

2-(2-methoxycycloheptyl)-1H-imidazole (PubChem CID 57102708) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2-methoxycycloheptyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methoxycycloheptyl)-1H-imidazole
PubChem CID57102708
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-(2-methoxycycloheptyl)-1H-imidazole
SMILESCOC1CCCCCC1c1ncc[nH]1
InChIInChI=1S/C11H18N2O/c1-14-10-6-4-2-3-5-9(10)11-12-7-8-13-11/h7-10H,2-6H2,1H3,(H,12,13)
InChIKeyBHEFAEZVIOVUPS-UHFFFAOYSA-N
XLogP2.47
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycycloheptyl)-1H-imidazole?
The IUPAC name of 2-(2-methoxycycloheptyl)-1H-imidazole (CID 57102708) is 2-(2-methoxycycloheptyl)-1H-imidazole.
What is the SMILES notation for 2-(2-methoxycycloheptyl)-1H-imidazole?
The canonical SMILES for 2-(2-methoxycycloheptyl)-1H-imidazole is COC1CCCCCC1c1ncc[nH]1.
What is the InChIKey of 2-(2-methoxycycloheptyl)-1H-imidazole?
The InChIKey is BHEFAEZVIOVUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-10-6-4-2-3-5-9(10)11-12-7-8-13-11/h7-10H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxycycloheptyl)-1H-imidazole?
2-(2-methoxycycloheptyl)-1H-imidazole has a molecular weight of 194.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycycloheptyl)-1H-imidazole is sourced from PubChem (CID 57102708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).