1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride

C9H16ClN3 — CID 71298900

IUPAC1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
SMILESCl.Cn1ccnc1CC1CCCN1
InChIInChI=1S/C9H15N3.ClH/c1-12-6-5-11-9(12)7-8-3-2-4-10-8;/h5-6,8,10H,2-4,7H2,1H3;1H
InChIKeyURAVXOFUEDJNTG-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.14
Rot. Bonds2

About 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride

1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride (PubChem CID 71298900) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
PubChem CID71298900
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride
SMILESCl.Cn1ccnc1CC1CCCN1
InChIInChI=1S/C9H15N3.ClH/c1-12-6-5-11-9(12)7-8-3-2-4-10-8;/h5-6,8,10H,2-4,7H2,1H3;1H
InChIKeyURAVXOFUEDJNTG-UHFFFAOYSA-N
XLogP1.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(1-methylimidazol-2-yl)methyl]-4-(trifluoromethyl)piperidine
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4-methyl-3-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
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N-methyl-2-(1-methylimidazol-2-yl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106635225
1-methyl-2-[(4-pyrrolidin-2-ylphenyl)methyl]imidazole
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N-(2-methoxyethyl)-2-(1-methylimidazol-2-yl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106617479
2-[(1-methylimidazol-2-yl)sulfanylmethyl]piperidine;hydrochloride
CID 72716573
1-methyl-2-pyrrolidin-2-ylimidazole;dihydrochloride
CID 71757802
2-methyl-6-[2-(1-methylimidazol-2-yl)ethyl]piperidine
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(2S)-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-2-carboxamide
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CID 106621365

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride?
The IUPAC name of 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride (CID 71298900) is 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride?
The canonical SMILES for 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride is Cl.Cn1ccnc1CC1CCCN1.
What is the InChIKey of 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride?
The InChIKey is URAVXOFUEDJNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c1-12-6-5-11-9(12)7-8-3-2-4-10-8;/h5-6,8,10H,2-4,7H2,1H3;1H.
What are the key properties of 1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride?
1-methyl-2-(pyrrolidin-2-ylmethyl)imidazole;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.14, 2 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-ylmethyl)imidazole;hydrochloride is sourced from PubChem (CID 71298900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).