tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate

C14H17FN4O2 — CID 166904682

IUPACtert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2ccc(N)cc2F)nc1N
InChIInChI=1S/C14H17FN4O2/c1-14(2,3)21-13(20)19-7-11(18-12(19)17)9-5-4-8(16)6-10(9)15/h4-7H,16H2,1-3H3,(H2,17,18)
InChIKeyMAVMBVQLVSHKKG-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.64
Rot. Bonds1

About tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate

tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate (PubChem CID 166904682) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate
PubChem CID166904682
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Nametert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1cc(-c2ccc(N)cc2F)nc1N
InChIInChI=1S/C14H17FN4O2/c1-14(2,3)21-13(20)19-7-11(18-12(19)17)9-5-4-8(16)6-10(9)15/h4-7H,16H2,1-3H3,(H2,17,18)
InChIKeyMAVMBVQLVSHKKG-UHFFFAOYSA-N
XLogP2.64
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate 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

tert-butyl 4-amino-3-(2-fluoro-4-methoxyphenyl)-5-methylpyrazole-1-carboxylate
CID 42873965
tert-butyl 2-amino-4-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazole-1-carboxylate
CID 122191316
1-O-tert-butyl 2-O-methyl 4-(2,4-difluorophenyl)pyrrole-1,2-dicarboxylate
CID 129314568
tert-butyl 3-(4-amino-2-fluorophenyl)-5-oxoimidazolidine-1-carboxylate
CID 143030755
tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753
tert-butyl 4-[1-(4-amino-2-fluorophenyl)piperidin-4-yl]piperidine-1-carboxylate;ethane
CID 170749699
tert-butyl 2-amino-4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylamino]phenyl]imidazole-1-carboxylate
CID 122191087
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
CID 152563693
tert-butyl 2-amino-4-[3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]phenyl]imidazole-1-carboxylate
CID 122191377
tert-butyl 5-amino-3-[2-(hydroxyamino)-1,3-thiazol-5-yl]indole-1-carboxylate
CID 144872049
tert-butyl 6-amino-3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-1-carbonyl]indole-1-carboxylate
CID 59334887
tert-butyl 4-amino-3-(2-fluorophenyl)-5-methylpyrazole-1-carboxylate
CID 42873969

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate (CID 166904682) is tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate is CC(C)(C)OC(=O)n1cc(-c2ccc(N)cc2F)nc1N.
What is the InChIKey of tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate?
The InChIKey is MAVMBVQLVSHKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-14(2,3)21-13(20)19-7-11(18-12(19)17)9-5-4-8(16)6-10(9)15/h4-7H,16H2,1-3H3,(H2,17,18).
What are the key properties of tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate?
tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate has a molecular weight of 292.31 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-4-(4-amino-2-fluorophenyl)imidazole-1-carboxylate is sourced from PubChem (CID 166904682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).