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Ethane;5-methyl-4-propan-2-yl-1H-imidazole

C9H18N2 — CID 170617966

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethane;5-methyl-4-propan-2-yl-1H-imidazole
SMILESCC.Cc1[nH]cnc1C(C)C
InChIInChI=1S/C7H12N2.C2H6/c1-5(2)7-6(3)8-4-9-7;1-2/h4-5H,1-3H3,(H,8,9);1-2H3
InChIKeyXQKACTQUDXHMOJ-UHFFFAOYSA-N
MW154.26 g/mol
LogP2.87
Rot. Bonds1

About Ethane;5-methyl-4-propan-2-yl-1H-imidazole

Ethane;5-methyl-4-propan-2-yl-1H-imidazole (PubChem CID 170617966) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is ethane;5-methyl-4-propan-2-yl-1H-imidazole.

Molecular Properties

Compound NameEthane;5-methyl-4-propan-2-yl-1H-imidazole
PubChem CID170617966
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Nameethane;5-methyl-4-propan-2-yl-1H-imidazole
SMILESCC.Cc1[nH]cnc1C(C)C
InChIInChI=1S/C7H12N2.C2H6/c1-5(2)7-6(3)8-4-9-7;1-2/h4-5H,1-3H3,(H,8,9);1-2H3
InChIKeyXQKACTQUDXHMOJ-UHFFFAOYSA-N
XLogP2.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of Ethane;5-methyl-4-propan-2-yl-1H-imidazole?
The IUPAC name of Ethane;5-methyl-4-propan-2-yl-1H-imidazole (CID 170617966) is ethane;5-methyl-4-propan-2-yl-1H-imidazole.
What is the SMILES notation for Ethane;5-methyl-4-propan-2-yl-1H-imidazole?
The canonical SMILES for Ethane;5-methyl-4-propan-2-yl-1H-imidazole is CC.Cc1[nH]cnc1C(C)C.
What is the InChIKey of Ethane;5-methyl-4-propan-2-yl-1H-imidazole?
The InChIKey is XQKACTQUDXHMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C2H6/c1-5(2)7-6(3)8-4-9-7;1-2/h4-5H,1-3H3,(H,8,9);1-2H3.
What are the key properties of Ethane;5-methyl-4-propan-2-yl-1H-imidazole?
Ethane;5-methyl-4-propan-2-yl-1H-imidazole has a molecular weight of 154.26 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for Ethane;5-methyl-4-propan-2-yl-1H-imidazole is sourced from PubChem (CID 170617966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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