5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole

C10H17N3 — CID 130918020

IUPAC5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole
SMILESCC1CCN(Cc2cnc[nH]2)C1C
InChIInChI=1S/C10H17N3/c1-8-3-4-13(9(8)2)6-10-5-11-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyQYVWUQYCDHXENL-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.64
Rot. Bonds2

About 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole

5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole (PubChem CID 130918020) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole
PubChem CID130918020
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole
SMILESCC1CCN(Cc2cnc[nH]2)C1C
InChIInChI=1S/C10H17N3/c1-8-3-4-13(9(8)2)6-10-5-11-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H,11,12)
InChIKeyQYVWUQYCDHXENL-UHFFFAOYSA-N
XLogP1.64
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole (CID 130918020) is 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole is CC1CCN(Cc2cnc[nH]2)C1C.
What is the InChIKey of 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole?
The InChIKey is QYVWUQYCDHXENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-3-4-13(9(8)2)6-10-5-11-7-12-10/h5,7-9H,3-4,6H2,1-2H3,(H,11,12).
What are the key properties of 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole?
5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole has a molecular weight of 179.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylpyrrolidin-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 130918020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).