(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine

C15H14BrN3 — CID 104943457

IUPAC(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrN3/c1-10(17)15-8-18-9-19(15)14-5-3-11-6-13(16)4-2-12(11)7-14/h2-10H,17H2,1H3/t10-/m1/s1
InChIKeyAXUMXRYTNHIFPV-SNVBAGLBSA-N
MW316.20 g/mol
LogP3.81
Rot. Bonds2

About (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine

(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine (PubChem CID 104943457) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
PubChem CID104943457
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1ccc2cc(Br)ccc2c1
InChIInChI=1S/C15H14BrN3/c1-10(17)15-8-18-9-19(15)14-5-3-11-6-13(16)4-2-12(11)7-14/h2-10H,17H2,1H3/t10-/m1/s1
InChIKeyAXUMXRYTNHIFPV-SNVBAGLBSA-N
XLogP3.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine (CID 104943457) is (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1-c1ccc2cc(Br)ccc2c1.
What is the InChIKey of (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine?
The InChIKey is AXUMXRYTNHIFPV-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10(17)15-8-18-9-19(15)14-5-3-11-6-13(16)4-2-12(11)7-14/h2-10H,17H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine has a molecular weight of 316.20 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(6-bromonaphthalen-2-yl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104943457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).