1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole

C13H22ClN3 — CID 63388388

IUPAC1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
SMILESCc1nccn1CCN1CCCC1CCCCl
InChIInChI=1S/C13H22ClN3/c1-12-15-7-9-16(12)10-11-17-8-3-5-13(17)4-2-6-14/h7,9,13H,2-6,8,10-11H2,1H3
InChIKeyRCJGFBJZRQQSJU-UHFFFAOYSA-N
MW255.79 g/mol
LogP2.67
Rot. Bonds6

About 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole

1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole (PubChem CID 63388388) has the molecular formula C13H22ClN3 and a molecular weight of 255.79 g/mol. Its IUPAC name is 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
PubChem CID63388388
Molecular FormulaC13H22ClN3
Molecular Weight255.79 g/mol
Exact Mass255.15
IUPAC Name1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
SMILESCc1nccn1CCN1CCCC1CCCCl
InChIInChI=1S/C13H22ClN3/c1-12-15-7-9-16(12)10-11-17-8-3-5-13(17)4-2-6-14/h7,9,13H,2-6,8,10-11H2,1H3
InChIKeyRCJGFBJZRQQSJU-UHFFFAOYSA-N
XLogP2.67
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(3-bromopropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80691757
1-[2-[2-(bromomethyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole
CID 80669869
2-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanol
CID 62020294
2-[(2-methylimidazol-1-yl)methyl]-1-propylpiperidine
CID 167299183
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidine-2-carboxylate
CID 62028229
2-(3-chloropropyl)-1-decylpyrrolidine
CID 63388574
2-[[2-(3-chloropropyl)pyrrolidin-1-yl]methyl]-3-methylpyridine
CID 112651342
N-methyl-1-[1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-2-yl]ethanamine
CID 63854336
2-methyl-5-[(2S,3S)-2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-yl]-1,3,4-oxadiazole
CID 154761878
1-ethyl-2-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(2-methylimidazol-1-yl)butyl]guanidine;hydroiodide
CID 111774387
methyl 1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-2-carboxylate
CID 113330911
(2R)-1-[(1-ethylpyrazol-3-yl)methyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 124754791

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
The IUPAC name of 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole (CID 63388388) is 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
The canonical SMILES for 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole is Cc1nccn1CCN1CCCC1CCCCl.
What is the InChIKey of 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
The InChIKey is RCJGFBJZRQQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3/c1-12-15-7-9-16(12)10-11-17-8-3-5-13(17)4-2-6-14/h7,9,13H,2-6,8,10-11H2,1H3.
What are the key properties of 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole?
1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole has a molecular weight of 255.79 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-chloropropyl)pyrrolidin-1-yl]ethyl]-2-methylimidazole is sourced from PubChem (CID 63388388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).