tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate

C15H22BrN3O2S — CID 67315660

IUPACtert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C1CC(C)(N)c1cc(Br)cs1
InChIInChI=1S/C15H22BrN3O2S/c1-14(2,3)21-13(20)19-6-5-18-12(19)8-15(4,17)11-7-10(16)9-22-11/h7,9H,5-6,8,17H2,1-4H3
InChIKeyANQAPGRHGODXRZ-UHFFFAOYSA-N
MW388.33 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate

tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate (PubChem CID 67315660) has the molecular formula C15H22BrN3O2S and a molecular weight of 388.33 g/mol. Its IUPAC name is tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate
PubChem CID67315660
Molecular FormulaC15H22BrN3O2S
Molecular Weight388.33 g/mol
Exact Mass387.06
IUPAC Nametert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C1CC(C)(N)c1cc(Br)cs1
InChIInChI=1S/C15H22BrN3O2S/c1-14(2,3)21-13(20)19-6-5-18-12(19)8-15(4,17)11-7-10(16)9-22-11/h7,9H,5-6,8,17H2,1-4H3
InChIKeyANQAPGRHGODXRZ-UHFFFAOYSA-N
XLogP3.72
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-aminobenzoic acid;tert-butyl 2-methylsulfanyl-4,5-dihydroimidazole-1-carboxylate;3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4,5-dihydroimidazol-2-yl]methyl]benzoic acid
CID 161383487
tert-butyl 2-(3-hydroxyphenyl)-4,5-dihydroimidazole-1-carboxylate
CID 86589912
tert-butyl 6-bromo-2,3-dihydropyrrolo[3,2-b]pyridine-1-carboxylate
CID 121207730
tert-butyl 2-(6-hydroxynaphthalen-2-yl)-4,5-dihydroimidazole-1-carboxylate
CID 139927395
tert-butyl 5-bromo-7-(2-ethoxy-2-oxoacetyl)-2,3-dihydroindole-1-carboxylate
CID 71256018
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CID 66820256
tert-butyl 2-amino-4,5,6,7-tetrahydro-1,3-diazepine-1-carboxylate
CID 20622497
tert-butyl (2R)-4-[(4-bromothiophen-2-yl)methyl]-2-methylpiperazine-1-carboxylate
CID 168509822
tert-butyl 3-bromo-7-oxo-5H-pyrrolo[3,4-b]pyridine-6-carboxylate
CID 171487998
tert-butyl 4-(4-bromo-1,3-thiazole-2-carbonyl)-2-methylpiperazine-1-carboxylate
CID 175469661
tert-butyl 4-(5-bromo-3-methyl-2-pyridinyl)piperazine-1-carboxylate
CID 46739269
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate (CID 67315660) is tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate is CC(C)(C)OC(=O)N1CCN=C1CC(C)(N)c1cc(Br)cs1.
What is the InChIKey of tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is ANQAPGRHGODXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O2S/c1-14(2,3)21-13(20)19-6-5-18-12(19)8-15(4,17)11-7-10(16)9-22-11/h7,9H,5-6,8,17H2,1-4H3.
What are the key properties of tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate?
tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 388.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-amino-2-(4-bromothiophen-2-yl)propyl]-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 67315660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).