ethane;3-methyl-2,4-dihydroimidazole

C6H14N2 — CID 143573934

IUPACethane;3-methyl-2,4-dihydroimidazole
SMILESCC.CN1CC=NC1
InChIInChI=1S/C4H8N2.C2H6/c1-6-3-2-5-4-6;1-2/h2H,3-4H2,1H3;1-2H3
InChIKeyOKXJSVRBFODKCU-UHFFFAOYSA-N
MW114.19 g/mol
LogP0.99
Rot. Bonds

About ethane;3-methyl-2,4-dihydroimidazole

ethane;3-methyl-2,4-dihydroimidazole (PubChem CID 143573934) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is ethane;3-methyl-2,4-dihydroimidazole.

Molecular Properties

Compound Nameethane;3-methyl-2,4-dihydroimidazole
PubChem CID143573934
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC Nameethane;3-methyl-2,4-dihydroimidazole
SMILESCC.CN1CC=NC1
InChIInChI=1S/C4H8N2.C2H6/c1-6-3-2-5-4-6;1-2/h2H,3-4H2,1H3;1-2H3
InChIKeyOKXJSVRBFODKCU-UHFFFAOYSA-N
XLogP0.99
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2,4-dihydroimidazole?
The IUPAC name of ethane;3-methyl-2,4-dihydroimidazole (CID 143573934) is ethane;3-methyl-2,4-dihydroimidazole.
What is the SMILES notation for ethane;3-methyl-2,4-dihydroimidazole?
The canonical SMILES for ethane;3-methyl-2,4-dihydroimidazole is CC.CN1CC=NC1.
What is the InChIKey of ethane;3-methyl-2,4-dihydroimidazole?
The InChIKey is OKXJSVRBFODKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2.C2H6/c1-6-3-2-5-4-6;1-2/h2H,3-4H2,1H3;1-2H3.
What are the key properties of ethane;3-methyl-2,4-dihydroimidazole?
ethane;3-methyl-2,4-dihydroimidazole has a molecular weight of 114.19 g/mol, XLogP of 0.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2,4-dihydroimidazole is sourced from PubChem (CID 143573934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).