3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride

C7H15ClN2 — CID 175370626

IUPAC3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCC[NH+]1C=CN(C)C1.[Cl-]
InChIInChI=1S/C7H14N2.ClH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyGYTJXQRCNBRFGU-UHFFFAOYSA-N
MW162.66 g/mol
LogP-3.34
Rot. Bonds2

About 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride

3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride (PubChem CID 175370626) has the molecular formula C7H15ClN2 and a molecular weight of 162.66 g/mol. Its IUPAC name is 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride
PubChem CID175370626
Molecular FormulaC7H15ClN2
Molecular Weight162.66 g/mol
Exact Mass162.09
IUPAC Name3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCC[NH+]1C=CN(C)C1.[Cl-]
InChIInChI=1S/C7H14N2.ClH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H
InChIKeyGYTJXQRCNBRFGU-UHFFFAOYSA-N
XLogP-3.34
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.66
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride?
The IUPAC name of 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride (CID 175370626) is 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride?
The canonical SMILES for 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride is CCC[NH+]1C=CN(C)C1.[Cl-].
What is the InChIKey of 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride?
The InChIKey is GYTJXQRCNBRFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.ClH/c1-3-4-9-6-5-8(2)7-9;/h5-6H,3-4,7H2,1-2H3;1H.
What are the key properties of 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride?
3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride has a molecular weight of 162.66 g/mol, XLogP of -3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-1,2-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 175370626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).