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

C11H11Cl2N3 — CID 114716286

IUPAC2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3/c12-10-2-1-8(5-11(10)13)16-7-15-6-9(16)3-4-14/h1-2,5-7H,3-4,14H2
InChIKeyGNOVCQBPFPRNNX-UHFFFAOYSA-N
MW256.14 g/mol
LogP2.68
Rot. Bonds3

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

2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine (PubChem CID 114716286) has the molecular formula C11H11Cl2N3 and a molecular weight of 256.14 g/mol. Its IUPAC name is 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
PubChem CID114716286
Molecular FormulaC11H11Cl2N3
Molecular Weight256.14 g/mol
Exact Mass255.03
IUPAC Name2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine
SMILESNCCc1cncn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H11Cl2N3/c12-10-2-1-8(5-11(10)13)16-7-15-6-9(16)3-4-14/h1-2,5-7H,3-4,14H2
InChIKeyGNOVCQBPFPRNNX-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine?
The IUPAC name of 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine (CID 114716286) is 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine?
The canonical SMILES for 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine is NCCc1cncn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine?
The InChIKey is GNOVCQBPFPRNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3/c12-10-2-1-8(5-11(10)13)16-7-15-6-9(16)3-4-14/h1-2,5-7H,3-4,14H2.
What are the key properties of 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine?
2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine has a molecular weight of 256.14 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,4-dichlorophenyl)imidazol-4-yl]ethanamine is sourced from PubChem (CID 114716286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).