(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine

C11H11Cl2N3 — CID 104941597

IUPAC(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3/c1-7(14)11-5-15-6-16(11)10-4-8(12)2-3-9(10)13/h2-7H,14H2,1H3/t7-/m1/s1
InChIKeyCYSNIHHASYCBSZ-SSDOTTSWSA-N
MW256.14 g/mol
LogP3.20
Rot. Bonds2

About (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine

(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 104941597) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
PubChem CID104941597
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine
SMILESC[C@@H](N)c1cncn1-c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl2N3/c1-7(14)11-5-15-6-16(11)10-4-8(12)2-3-9(10)13/h2-7H,14H2,1H3/t7-/m1/s1
InChIKeyCYSNIHHASYCBSZ-SSDOTTSWSA-N
XLogP3.20
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine (CID 104941597) is (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine is C[C@@H](N)c1cncn1-c1cc(Cl)ccc1Cl.
What is the InChIKey of (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is CYSNIHHASYCBSZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c1-7(14)11-5-15-6-16(11)10-4-8(12)2-3-9(10)13/h2-7H,14H2,1H3/t7-/m1/s1.
What are the key properties of (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine?
(1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 256.14 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2,5-dichlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 104941597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).