1-propyl-1H-imidazol-1-ium chloride

C6H11ClN2 — CID 19765953

IUPAC1-propyl-1H-imidazol-1-ium chloride
SMILESCCC[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-2-4-8-5-3-7-6-8;/h3,5-6H,2,4H2,1H3;1H
InChIKeyDHILVHZCFOSZSW-UHFFFAOYSA-N
MW146.62 g/mol
LogP-3.20
Rot. Bonds2

About 1-propyl-1H-imidazol-1-ium chloride

1-propyl-1H-imidazol-1-ium chloride (PubChem CID 19765953) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 1-propyl-1H-imidazol-1-ium chloride.

Molecular Properties

Compound Name1-propyl-1H-imidazol-1-ium chloride
PubChem CID19765953
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name1-propyl-1H-imidazol-1-ium chloride
SMILESCCC[NH+]1C=CN=C1.[Cl-]
InChIInChI=1S/C6H10N2.ClH/c1-2-4-8-5-3-7-6-8;/h3,5-6H,2,4H2,1H3;1H
InChIKeyDHILVHZCFOSZSW-UHFFFAOYSA-N
XLogP-3.20
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 5-3.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-1H-imidazol-1-ium chloride?
The IUPAC name of 1-propyl-1H-imidazol-1-ium chloride (CID 19765953) is 1-propyl-1H-imidazol-1-ium chloride.
What is the SMILES notation for 1-propyl-1H-imidazol-1-ium chloride?
The canonical SMILES for 1-propyl-1H-imidazol-1-ium chloride is CCC[NH+]1C=CN=C1.[Cl-].
What is the InChIKey of 1-propyl-1H-imidazol-1-ium chloride?
The InChIKey is DHILVHZCFOSZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.ClH/c1-2-4-8-5-3-7-6-8;/h3,5-6H,2,4H2,1H3;1H.
What are the key properties of 1-propyl-1H-imidazol-1-ium chloride?
1-propyl-1H-imidazol-1-ium chloride has a molecular weight of 146.62 g/mol, XLogP of -3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-1H-imidazol-1-ium chloride is sourced from PubChem (CID 19765953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).