2-(4-chloro-1H-imidazol-5-yl)ethanamine

C5H8ClN3 — CID 575677

IUPAC2-(4-chloro-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]cnc1Cl
InChIInChI=1S/C5H8ClN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
InChIKeyRMRXSWXCXDHSBA-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.56
Rot. Bonds2

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

2-(4-chloro-1H-imidazol-5-yl)ethanamine (PubChem CID 575677) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is 2-(4-chloro-1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-1H-imidazol-5-yl)ethanamine
PubChem CID575677
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name2-(4-chloro-1H-imidazol-5-yl)ethanamine
SMILESNCCc1[nH]cnc1Cl
InChIInChI=1S/C5H8ClN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9)
InChIKeyRMRXSWXCXDHSBA-UHFFFAOYSA-N
XLogP0.56
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)ethanamine?
The IUPAC name of 2-(4-chloro-1H-imidazol-5-yl)ethanamine (CID 575677) is 2-(4-chloro-1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 2-(4-chloro-1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 2-(4-chloro-1H-imidazol-5-yl)ethanamine is NCCc1[nH]cnc1Cl.
What is the InChIKey of 2-(4-chloro-1H-imidazol-5-yl)ethanamine?
The InChIKey is RMRXSWXCXDHSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c6-5-4(1-2-7)8-3-9-5/h3H,1-2,7H2,(H,8,9).
What are the key properties of 2-(4-chloro-1H-imidazol-5-yl)ethanamine?
2-(4-chloro-1H-imidazol-5-yl)ethanamine has a molecular weight of 145.59 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 575677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).