ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole

C13H28N4 — CID 162283756

IUPACethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESCC.CC.CN1C=CN(CN2C=CN(C)C2)C1
InChIInChI=1S/C9H16N4.2C2H6/c1-10-3-5-12(7-10)9-13-6-4-11(2)8-13;2*1-2/h3-6H,7-9H2,1-2H3;2*1-2H3
InChIKeyIDBLKAFCBQWSCI-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.35
Rot. Bonds2

About ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole

ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole (PubChem CID 162283756) has the molecular formula C13H28N4 and a molecular weight of 240.39 g/mol. Its IUPAC name is ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole.

Molecular Properties

Compound Nameethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
PubChem CID162283756
Molecular FormulaC13H28N4
Molecular Weight240.39 g/mol
Exact Mass240.23
IUPAC Nameethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
SMILESCC.CC.CN1C=CN(CN2C=CN(C)C2)C1
InChIInChI=1S/C9H16N4.2C2H6/c1-10-3-5-12(7-10)9-13-6-4-11(2)8-13;2*1-2/h3-6H,7-9H2,1-2H3;2*1-2H3
InChIKeyIDBLKAFCBQWSCI-UHFFFAOYSA-N
XLogP2.35
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethenyl-3-[(3-ethenyl-2H-imidazol-1-yl)methyl]-2H-imidazole;1-ethenyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole
CID 162277531
(3-methyl-2H-imidazol-1-yl)methanamine
CID 67991227
(3-methyl-2H-imidazol-1-yl)methanol;hydrochloride
CID 175484301
alumane;1-ethyl-3-methyl-2H-imidazole;hydrochloride
CID 174780208
1-methyl-3-propyl-2H-imidazole;hydroiodide
CID 67338438
1-butyl-3-methyl-2H-imidazole
CID 10265934
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
1-methyl-3-(2-methylsulfanylethyl)-2H-imidazole
CID 171061505
1-ethyl-3-methyl-2H-imidazole;bis(trifluoroborane)
CID 175554894
N-methyl-2-(3-methyl-2H-imidazol-1-yl)ethanamine
CID 67240733
cobalt;1-ethyl-3-methyl-2H-imidazole;methanone
CID 174605686
1,3-bis(3-methyl-2H-imidazol-1-yl)propan-2-amine
CID 140611334

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The IUPAC name of ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole (CID 162283756) is ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole.
What is the SMILES notation for ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The canonical SMILES for ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole is CC.CC.CN1C=CN(CN2C=CN(C)C2)C1.
What is the InChIKey of ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
The InChIKey is IDBLKAFCBQWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4.2C2H6/c1-10-3-5-12(7-10)9-13-6-4-11(2)8-13;2*1-2/h3-6H,7-9H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole?
ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole has a molecular weight of 240.39 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-[(3-methyl-2H-imidazol-1-yl)methyl]-2H-imidazole is sourced from PubChem (CID 162283756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).