1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride

C8H15Cl2N3 — CID 71757802

IUPAC1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CCCN1
InChIInChI=1S/C8H13N3.2ClH/c1-11-6-5-10-8(11)7-3-2-4-9-7;;/h5-7,9H,2-4H2,1H3;2*1H
InChIKeyYCIZNLMAFHYGMG-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.69
Rot. Bonds1

About 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride

1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride (PubChem CID 71757802) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
PubChem CID71757802
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CCCN1
InChIInChI=1S/C8H13N3.2ClH/c1-11-6-5-10-8(11)7-3-2-4-9-7;;/h5-7,9H,2-4H2,1H3;2*1H
InChIKeyYCIZNLMAFHYGMG-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(2S)-pyrrolidin-2-yl]-1-[4-[4-[2-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]phenyl]phenyl]imidazole
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1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
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1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
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N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
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1-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylimidazole
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride?
The IUPAC name of 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride (CID 71757802) is 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride.
What is the SMILES notation for 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride?
The canonical SMILES for 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride is Cl.Cl.Cn1ccnc1C1CCCN1.
What is the InChIKey of 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride?
The InChIKey is YCIZNLMAFHYGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-11-6-5-10-8(11)7-3-2-4-9-7;;/h5-7,9H,2-4H2,1H3;2*1H.
What are the key properties of 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride?
1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride is sourced from PubChem (CID 71757802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).