1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole

C9H17N3 — CID 57064827

IUPAC1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole
SMILESCN1C=CN(CC2CCCN2)C1
InChIInChI=1S/C9H17N3/c1-11-5-6-12(8-11)7-9-3-2-4-10-9/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyPKZONLFSSQCKOG-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.41
Rot. Bonds2

About 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole

1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole (PubChem CID 57064827) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole.

Molecular Properties

Compound Name1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole
PubChem CID57064827
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole
SMILESCN1C=CN(CC2CCCN2)C1
InChIInChI=1S/C9H17N3/c1-11-5-6-12(8-11)7-9-3-2-4-10-9/h5-6,9-10H,2-4,7-8H2,1H3
InChIKeyPKZONLFSSQCKOG-UHFFFAOYSA-N
XLogP0.41
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole?
The IUPAC name of 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole (CID 57064827) is 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole.
What is the SMILES notation for 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole?
The canonical SMILES for 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole is CN1C=CN(CC2CCCN2)C1.
What is the InChIKey of 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole?
The InChIKey is PKZONLFSSQCKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11-5-6-12(8-11)7-9-3-2-4-10-9/h5-6,9-10H,2-4,7-8H2,1H3.
What are the key properties of 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole?
1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole has a molecular weight of 167.26 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(pyrrolidin-2-ylmethyl)-2H-imidazole is sourced from PubChem (CID 57064827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).