2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride

C11H15Cl2N3 — CID 13170817

IUPAC2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H13N3.2ClH/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9;;/h1-5,8H,6-7,12H2,(H,13,14);2*1H
InChIKeyUSEPMKRMWMLNNA-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.42
Rot. Bonds3

About 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride

2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 13170817) has the molecular formula C11H15Cl2N3 and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
PubChem CID13170817
Molecular FormulaC11H15Cl2N3
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H13N3.2ClH/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9;;/h1-5,8H,6-7,12H2,(H,13,14);2*1H
InChIKeyUSEPMKRMWMLNNA-UHFFFAOYSA-N
XLogP2.42
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride (CID 13170817) is 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is USEPMKRMWMLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3.2ClH/c12-7-6-11-13-8-10(14-11)9-4-2-1-3-5-9;;/h1-5,8H,6-7,12H2,(H,13,14);2*1H.
What are the key properties of 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride?
2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 260.17 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1H-imidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 13170817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).