4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride

C4H11Cl2N3 — CID 12621845

IUPAC4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1=NCCN1
InChIInChI=1S/C4H9N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-3,5H2,(H,6,7);2*1H
InChIKeyYCOPLQDVWLWLIY-UHFFFAOYSA-N
MW172.06 g/mol
LogP-0.21
Rot. Bonds1

About 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride

4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride (PubChem CID 12621845) has the molecular formula C4H11Cl2N3 and a molecular weight of 172.06 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride
PubChem CID12621845
Molecular FormulaC4H11Cl2N3
Molecular Weight172.06 g/mol
Exact Mass171.03
IUPAC Name4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCC1=NCCN1
InChIInChI=1S/C4H9N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-3,5H2,(H,6,7);2*1H
InChIKeyYCOPLQDVWLWLIY-UHFFFAOYSA-N
XLogP-0.21
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.06
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride (CID 12621845) is 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride is Cl.Cl.NCC1=NCCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride?
The InChIKey is YCOPLQDVWLWLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N3.2ClH/c5-3-4-6-1-2-7-4;;/h1-3,5H2,(H,6,7);2*1H.
What are the key properties of 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride?
4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride has a molecular weight of 172.06 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-ylmethanamine;dihydrochloride is sourced from PubChem (CID 12621845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).