2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine

C5H7Cl2N3 — CID 15839630

IUPAC2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C5H7Cl2N3/c6-4-3(1-2-8)9-5(7)10-4/h1-2,8H2,(H,9,10)
InChIKeyTZRDBWROFOUDOH-UHFFFAOYSA-N
MW180.04 g/mol
LogP1.22
Rot. Bonds2

About 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine

2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine (PubChem CID 15839630) has the molecular formula C5H7Cl2N3 and a molecular weight of 180.04 g/mol. Its IUPAC name is 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine
PubChem CID15839630
Molecular FormulaC5H7Cl2N3
Molecular Weight180.04 g/mol
Exact Mass179.00
IUPAC Name2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]c(Cl)nc1Cl
InChIInChI=1S/C5H7Cl2N3/c6-4-3(1-2-8)9-5(7)10-4/h1-2,8H2,(H,9,10)
InChIKeyTZRDBWROFOUDOH-UHFFFAOYSA-N
XLogP1.22
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.04
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine (CID 15839630) is 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine is NCCc1[nH]c(Cl)nc1Cl.
What is the InChIKey of 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine?
The InChIKey is TZRDBWROFOUDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl2N3/c6-4-3(1-2-8)9-5(7)10-4/h1-2,8H2,(H,9,10).
What are the key properties of 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine?
2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine has a molecular weight of 180.04 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 15839630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).