2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde

C7H11N3O — CID 173197024

IUPAC2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
SMILESCC(NCC=O)c1ncc[nH]1
InChIInChI=1S/C7H11N3O/c1-6(8-4-5-11)7-9-2-3-10-7/h2-3,5-6,8H,4H2,1H3,(H,9,10)
InChIKeyMQDXCSQRALQHQS-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.26
Rot. Bonds4

About 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde

2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde (PubChem CID 173197024) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde.

Molecular Properties

Compound Name2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
PubChem CID173197024
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde
SMILESCC(NCC=O)c1ncc[nH]1
InChIInChI=1S/C7H11N3O/c1-6(8-4-5-11)7-9-2-3-10-7/h2-3,5-6,8H,4H2,1H3,(H,9,10)
InChIKeyMQDXCSQRALQHQS-UHFFFAOYSA-N
XLogP0.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(1H-imidazol-2-yl)-N-(2-methoxyethyl)ethanamine
CID 53405687
2-[1-(1H-imidazol-2-yl)ethylamino]ethanesulfonamide
CID 114385222
N-benzyl-1-(1H-imidazol-2-yl)ethanamine
CID 22398694
N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442813
1-(1H-imidazol-2-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 91513422
N-[(1S)-1-(1H-imidazol-2-yl)ethyl]prop-2-enamide
CID 167887556
6-[[(1R)-1-(1H-imidazol-2-yl)ethyl]amino]-6-oxohexanoic acid
CID 146109150
(1R,2R)-1-(1H-imidazol-2-yl)-2-methyl-N-prop-2-enylbut-3-en-1-amine
CID 102382241
N-[1-(1H-imidazol-2-yl)ethylsulfamoyl]propan-1-amine
CID 114810309
2-[(2R)-butan-2-yl]-1H-imidazole
CID 89008830
3-[1-(1H-imidazol-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114899046
1-(1H-imidazol-2-yl)ethanesulfinate
CID 174573081

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde?
The IUPAC name of 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde (CID 173197024) is 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde.
What is the SMILES notation for 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde?
The canonical SMILES for 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde is CC(NCC=O)c1ncc[nH]1.
What is the InChIKey of 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde?
The InChIKey is MQDXCSQRALQHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-6(8-4-5-11)7-9-2-3-10-7/h2-3,5-6,8H,4H2,1H3,(H,9,10).
What are the key properties of 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde?
2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde has a molecular weight of 153.19 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-imidazol-2-yl)ethylamino]acetaldehyde is sourced from PubChem (CID 173197024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).