5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride

C7H13Cl2N3 — CID 75485523

IUPAC5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1ncc(C2CCNC2)[nH]1
InChIInChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-5-10-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H
InChIKeyCBLAJQFSHNKFGN-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.33
Rot. Bonds1

About 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride

5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride (PubChem CID 75485523) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
PubChem CID75485523
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride
SMILESCl.Cl.c1ncc(C2CCNC2)[nH]1
InChIInChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-5-10-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H
InChIKeyCBLAJQFSHNKFGN-UHFFFAOYSA-N
XLogP1.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride?
The IUPAC name of 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride (CID 75485523) is 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride.
What is the SMILES notation for 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride?
The canonical SMILES for 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride is Cl.Cl.c1ncc(C2CCNC2)[nH]1.
What is the InChIKey of 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride?
The InChIKey is CBLAJQFSHNKFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-5-10-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H.
What are the key properties of 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride?
5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-1H-imidazole;dihydrochloride is sourced from PubChem (CID 75485523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).