5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride

C7H16Cl2N2 — CID 160537728

IUPAC5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride
SMILESCC(C)N1C=NCC1C.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-6(2)9-5-8-4-7(9)3;;/h5-7H,4H2,1-3H3;2*1H
InChIKeyXOVHJONLPNQJFA-UHFFFAOYSA-N
MW199.12 g/mol
LogP1.97
Rot. Bonds1

About 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride

5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride (PubChem CID 160537728) has the molecular formula C7H16Cl2N2 and a molecular weight of 199.12 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride.

Molecular Properties

Compound Name5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride
PubChem CID160537728
Molecular FormulaC7H16Cl2N2
Molecular Weight199.12 g/mol
Exact Mass198.07
IUPAC Name5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride
SMILESCC(C)N1C=NCC1C.Cl.Cl
InChIInChI=1S/C7H14N2.2ClH/c1-6(2)9-5-8-4-7(9)3;;/h5-7H,4H2,1-3H3;2*1H
InChIKeyXOVHJONLPNQJFA-UHFFFAOYSA-N
XLogP1.97
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.12
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride?
The IUPAC name of 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride (CID 160537728) is 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride.
What is the SMILES notation for 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride?
The canonical SMILES for 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride is CC(C)N1C=NCC1C.Cl.Cl.
What is the InChIKey of 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride?
The InChIKey is XOVHJONLPNQJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2ClH/c1-6(2)9-5-8-4-7(9)3;;/h5-7H,4H2,1-3H3;2*1H.
What are the key properties of 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride?
5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride has a molecular weight of 199.12 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-propan-2-yl-4,5-dihydroimidazole;dihydrochloride is sourced from PubChem (CID 160537728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).