(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate

C8H14N4O — CID 23546860

IUPAC(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate
SMILESCC(C)(C)/N=C/Oc1nc[nH]c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-5-13-7-6(9)10-4-11-7/h4-5H,9H2,1-3H3,(H,10,11)/b12-5+
InChIKeyPHEQTKKEBGODPZ-LFYBBSHMSA-N
MW182.23 g/mol
LogP1.20
Rot. Bonds2

About (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate

(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate (PubChem CID 23546860) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate.

Molecular Properties

Compound Name(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate
PubChem CID23546860
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate
SMILESCC(C)(C)/N=C/Oc1nc[nH]c1N
InChIInChI=1S/C8H14N4O/c1-8(2,3)12-5-13-7-6(9)10-4-11-7/h4-5H,9H2,1-3H3,(H,10,11)/b12-5+
InChIKeyPHEQTKKEBGODPZ-LFYBBSHMSA-N
XLogP1.20
TPSA76.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-4-methoxy-1H-imidazole
CID 146393284
4-(aminomethoxy)-1H-imidazol-5-amine
CID 23546857
[5-amino-1-(methylcarbamoyl)imidazol-4-yl] N-tert-butylmethanimidate
CID 23546859
4-methoxy-1H-imidazole-2,5-diamine
CID 69334697
5-iodo-4-methoxy-1H-imidazole
CID 146393167
4-ethoxy-1H-imidazol-5-amine
CID 83619684
4-(2-methylpropoxy)-1H-imidazol-5-amine
CID 83619726

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate?
The IUPAC name of (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate (CID 23546860) is (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate.
What is the SMILES notation for (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate?
The canonical SMILES for (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate is CC(C)(C)/N=C/Oc1nc[nH]c1N.
What is the InChIKey of (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate?
The InChIKey is PHEQTKKEBGODPZ-LFYBBSHMSA-N. The full InChI is InChI=1S/C8H14N4O/c1-8(2,3)12-5-13-7-6(9)10-4-11-7/h4-5H,9H2,1-3H3,(H,10,11)/b12-5+.
What are the key properties of (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate?
(5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate has a molecular weight of 182.23 g/mol, XLogP of 1.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-imidazol-4-yl) N-tert-butylmethanimidate is sourced from PubChem (CID 23546860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).