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

C9H19ClN2 — CID 67523317

IUPAC1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCCCCN1C=C[NH+](C)C1.[Cl-]
InChIInChI=1S/C9H18N2.ClH/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-8H,3-6,9H2,1-2H3;1H
InChIKeyDMWWIDHGDVRHMP-UHFFFAOYSA-N
MW190.72 g/mol
LogP-2.56
Rot. Bonds4

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

1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride (PubChem CID 67523317) has the molecular formula C9H19ClN2 and a molecular weight of 190.72 g/mol. Its IUPAC name is 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride.

Molecular Properties

Compound Name1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride
PubChem CID67523317
Molecular FormulaC9H19ClN2
Molecular Weight190.72 g/mol
Exact Mass190.12
IUPAC Name1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride
SMILESCCCCCN1C=C[NH+](C)C1.[Cl-]
InChIInChI=1S/C9H18N2.ClH/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-8H,3-6,9H2,1-2H3;1H
InChIKeyDMWWIDHGDVRHMP-UHFFFAOYSA-N
XLogP-2.56
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.72
LogP ≤ 5-2.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride?
The IUPAC name of 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride (CID 67523317) is 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride.
What is the SMILES notation for 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride?
The canonical SMILES for 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride is CCCCCN1C=C[NH+](C)C1.[Cl-].
What is the InChIKey of 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride?
The InChIKey is DMWWIDHGDVRHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.ClH/c1-3-4-5-6-11-8-7-10(2)9-11;/h7-8H,3-6,9H2,1-2H3;1H.
What are the key properties of 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride?
1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride has a molecular weight of 190.72 g/mol, XLogP of -2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-pentyl-1,2-dihydroimidazol-1-ium chloride is sourced from PubChem (CID 67523317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).