5-(pyrrolidin-3-ylmethyl)-1H-imidazole

C8H13N3 — CID 11819221

IUPAC5-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESc1ncc(CC2CCNC2)[nH]1
InChIInChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)
InChIKeyYGGBVTGACIFVRB-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.56
Rot. Bonds2

About 5-(pyrrolidin-3-ylmethyl)-1H-imidazole

5-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 11819221) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID11819221
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESc1ncc(CC2CCNC2)[nH]1
InChIInChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11)
InChIKeyYGGBVTGACIFVRB-UHFFFAOYSA-N
XLogP0.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 11819221) is 5-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(pyrrolidin-3-ylmethyl)-1H-imidazole is c1ncc(CC2CCNC2)[nH]1.
What is the InChIKey of 5-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is YGGBVTGACIFVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-2-9-4-7(1)3-8-5-10-6-11-8/h5-7,9H,1-4H2,(H,10,11).
What are the key properties of 5-(pyrrolidin-3-ylmethyl)-1H-imidazole?
5-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 151.21 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyrrolidin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 11819221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).