2-(1H-imidazol-5-yl)ethanamine;hydrobromide

C5H10BrN3 — CID 45259430

IUPAC2-(1H-imidazol-5-yl)ethanamine;hydrobromide
SMILESBr.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.BrH/c6-2-1-5-3-7-4-8-5;/h3-4H,1-2,6H2,(H,7,8);1H
InChIKeyVUDHVJRPCZJVTF-UHFFFAOYSA-N
MW192.06 g/mol
LogP0.49
Rot. Bonds2

About 2-(1H-imidazol-5-yl)ethanamine;hydrobromide

2-(1H-imidazol-5-yl)ethanamine;hydrobromide (PubChem CID 45259430) has the molecular formula C5H10BrN3 and a molecular weight of 192.06 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)ethanamine;hydrobromide.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)ethanamine;hydrobromide
PubChem CID45259430
Molecular FormulaC5H10BrN3
Molecular Weight192.06 g/mol
Exact Mass191.01
IUPAC Name2-(1H-imidazol-5-yl)ethanamine;hydrobromide
SMILESBr.NCCc1cnc[nH]1
InChIInChI=1S/C5H9N3.BrH/c6-2-1-5-3-7-4-8-5;/h3-4H,1-2,6H2,(H,7,8);1H
InChIKeyVUDHVJRPCZJVTF-UHFFFAOYSA-N
XLogP0.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.06
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Histamine
CID 774
4-Methylimidazole
CID 13195
1-Methylhistamine
CID 3614
Histamine Dihydrochloride
CID 5818
Histamine Phosphate
CID 65513
2-Ethyl-4-methylimidazole
CID 70262
3-Methylhistamine
CID 69520
2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
CID 3692
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Acetylhistamine
CID 69602
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;hydrobromide?
The IUPAC name of 2-(1H-imidazol-5-yl)ethanamine;hydrobromide (CID 45259430) is 2-(1H-imidazol-5-yl)ethanamine;hydrobromide.
What is the SMILES notation for 2-(1H-imidazol-5-yl)ethanamine;hydrobromide?
The canonical SMILES for 2-(1H-imidazol-5-yl)ethanamine;hydrobromide is Br.NCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)ethanamine;hydrobromide?
The InChIKey is VUDHVJRPCZJVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.BrH/c6-2-1-5-3-7-4-8-5;/h3-4H,1-2,6H2,(H,7,8);1H.
What are the key properties of 2-(1H-imidazol-5-yl)ethanamine;hydrobromide?
2-(1H-imidazol-5-yl)ethanamine;hydrobromide has a molecular weight of 192.06 g/mol, XLogP of 0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)ethanamine;hydrobromide is sourced from PubChem (CID 45259430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).