5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole

C9H15N3 — CID 58257402

IUPAC5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCc1cnc(C2CCCN2C)[nH]1
InChIInChI=1S/C9H15N3/c1-7-6-10-9(11-7)8-4-3-5-12(8)2/h6,8H,3-5H2,1-2H3,(H,10,11)
InChIKeyYMIAPJXDYCSSDS-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds1

About 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole

5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole (PubChem CID 58257402) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
PubChem CID58257402
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole
SMILESCc1cnc(C2CCCN2C)[nH]1
InChIInChI=1S/C9H15N3/c1-7-6-10-9(11-7)8-4-3-5-12(8)2/h6,8H,3-5H2,1-2H3,(H,10,11)
InChIKeyYMIAPJXDYCSSDS-UHFFFAOYSA-N
XLogP1.48
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole (CID 58257402) is 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole is Cc1cnc(C2CCCN2C)[nH]1.
What is the InChIKey of 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
The InChIKey is YMIAPJXDYCSSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-7-6-10-9(11-7)8-4-3-5-12(8)2/h6,8H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole?
5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole has a molecular weight of 165.24 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1-methylpyrrolidin-2-yl)-1H-imidazole is sourced from PubChem (CID 58257402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).