2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole

C7H13N3 — CID 54066283

IUPAC2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole
SMILESC1CNC(C2=NCCN2)C1
InChIInChI=1S/C7H13N3/c1-2-6(8-3-1)7-9-4-5-10-7/h6,8H,1-5H2,(H,9,10)
InChIKeyLLCCZYSNXVSMOH-UHFFFAOYSA-N
MW139.20 g/mol
LogP-0.26
Rot. Bonds1

About 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole

2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 54066283) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole
PubChem CID54066283
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole
SMILESC1CNC(C2=NCCN2)C1
InChIInChI=1S/C7H13N3/c1-2-6(8-3-1)7-9-4-5-10-7/h6,8H,1-5H2,(H,9,10)
InChIKeyLLCCZYSNXVSMOH-UHFFFAOYSA-N
XLogP-0.26
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole (CID 54066283) is 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole is C1CNC(C2=NCCN2)C1.
What is the InChIKey of 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is LLCCZYSNXVSMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-2-6(8-3-1)7-9-4-5-10-7/h6,8H,1-5H2,(H,9,10).
What are the key properties of 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole?
2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 139.20 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54066283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).