(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride

C5H10Cl3N3 — CID 119057052

IUPAC(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(Cl)cnc1CN
InChIInChI=1S/C5H8ClN3.2ClH/c1-9-4(6)3-8-5(9)2-7;;/h3H,2,7H2,1H3;2*1H
InChIKeyPUKDODYQPNTAMY-UHFFFAOYSA-N
MW218.51 g/mol
LogP1.38
Rot. Bonds1

About (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride

(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride (PubChem CID 119057052) has the molecular formula C5H10Cl3N3 and a molecular weight of 218.51 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
PubChem CID119057052
Molecular FormulaC5H10Cl3N3
Molecular Weight218.51 g/mol
Exact Mass216.99
IUPAC Name(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1c(Cl)cnc1CN
InChIInChI=1S/C5H8ClN3.2ClH/c1-9-4(6)3-8-5(9)2-7;;/h3H,2,7H2,1H3;2*1H
InChIKeyPUKDODYQPNTAMY-UHFFFAOYSA-N
XLogP1.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.51
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride (CID 119057052) is (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride is Cl.Cl.Cn1c(Cl)cnc1CN.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride?
The InChIKey is PUKDODYQPNTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3.2ClH/c1-9-4(6)3-8-5(9)2-7;;/h3H,2,7H2,1H3;2*1H.
What are the key properties of (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride?
(5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride has a molecular weight of 218.51 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)methanamine;dihydrochloride is sourced from PubChem (CID 119057052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).