1-(3-chloropropyl)imidazole;hydrochloride

C6H10Cl2N2 — CID 75539477

IUPAC1-(3-chloropropyl)imidazole;hydrochloride
SMILESCl.ClCCCn1ccnc1
InChIInChI=1S/C6H9ClN2.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2;1H
InChIKeyQICWHHJLFYBRQJ-UHFFFAOYSA-N
MW181.07 g/mol
LogP1.93
Rot. Bonds3

About 1-(3-chloropropyl)imidazole;hydrochloride

1-(3-chloropropyl)imidazole;hydrochloride (PubChem CID 75539477) has the molecular formula C6H10Cl2N2 and a molecular weight of 181.07 g/mol. Its IUPAC name is 1-(3-chloropropyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(3-chloropropyl)imidazole;hydrochloride
PubChem CID75539477
Molecular FormulaC6H10Cl2N2
Molecular Weight181.07 g/mol
Exact Mass180.02
IUPAC Name1-(3-chloropropyl)imidazole;hydrochloride
SMILESCl.ClCCCn1ccnc1
InChIInChI=1S/C6H9ClN2.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2;1H
InChIKeyQICWHHJLFYBRQJ-UHFFFAOYSA-N
XLogP1.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.07
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 2757503
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7-imidazol-1-ylheptane-1-thiol
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sodium;1-butylimidazole;bromide
CID 175480877
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CID 10855507
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148
1-nonylimidazole;hydrobromide
CID 175434544
2-imidazol-1-ylethanol
CID 159023310
fluoroboronic acid;bis(1-pentylimidazole)
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4-imidazol-1-ylbutylhydrazine
CID 86114724

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)imidazole;hydrochloride?
The IUPAC name of 1-(3-chloropropyl)imidazole;hydrochloride (CID 75539477) is 1-(3-chloropropyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(3-chloropropyl)imidazole;hydrochloride?
The canonical SMILES for 1-(3-chloropropyl)imidazole;hydrochloride is Cl.ClCCCn1ccnc1.
What is the InChIKey of 1-(3-chloropropyl)imidazole;hydrochloride?
The InChIKey is QICWHHJLFYBRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClN2.ClH/c7-2-1-4-9-5-3-8-6-9;/h3,5-6H,1-2,4H2;1H.
What are the key properties of 1-(3-chloropropyl)imidazole;hydrochloride?
1-(3-chloropropyl)imidazole;hydrochloride has a molecular weight of 181.07 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)imidazole;hydrochloride is sourced from PubChem (CID 75539477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).