(1-phenylimidazol-2-yl)methanamine;hydrochloride

C10H12ClN3 — CID 162422854

IUPAC(1-phenylimidazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nccn1-c1ccccc1
InChIInChI=1S/C10H11N3.ClH/c11-8-10-12-6-7-13(10)9-4-2-1-3-5-9;/h1-7H,8,11H2;1H
InChIKeyOIVUCIYEKQMIPU-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.75
Rot. Bonds2

About (1-phenylimidazol-2-yl)methanamine;hydrochloride

(1-phenylimidazol-2-yl)methanamine;hydrochloride (PubChem CID 162422854) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is (1-phenylimidazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-phenylimidazol-2-yl)methanamine;hydrochloride
PubChem CID162422854
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name(1-phenylimidazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nccn1-c1ccccc1
InChIInChI=1S/C10H11N3.ClH/c11-8-10-12-6-7-13(10)9-4-2-1-3-5-9;/h1-7H,8,11H2;1H
InChIKeyOIVUCIYEKQMIPU-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-phenylimidazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (1-phenylimidazol-2-yl)methanamine;hydrochloride (CID 162422854) is (1-phenylimidazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-phenylimidazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (1-phenylimidazol-2-yl)methanamine;hydrochloride is Cl.NCc1nccn1-c1ccccc1.
What is the InChIKey of (1-phenylimidazol-2-yl)methanamine;hydrochloride?
The InChIKey is OIVUCIYEKQMIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3.ClH/c11-8-10-12-6-7-13(10)9-4-2-1-3-5-9;/h1-7H,8,11H2;1H.
What are the key properties of (1-phenylimidazol-2-yl)methanamine;hydrochloride?
(1-phenylimidazol-2-yl)methanamine;hydrochloride has a molecular weight of 209.68 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylimidazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 162422854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).