tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate

C13H20F3N3O2 — CID 102970448

IUPACtert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H20F3N3O2/c1-7(2)9(19-11(20)21-12(3,4)5)10-17-6-8(18-10)13(14,15)16/h6-7,9H,1-5H3,(H,17,18)(H,19,20)/t9-/m0/s1
InChIKeyHFUOENMWIHHOSP-VIFPVBQESA-N
MW307.32 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate

tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate (PubChem CID 102970448) has the molecular formula C13H20F3N3O2 and a molecular weight of 307.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
PubChem CID102970448
Molecular FormulaC13H20F3N3O2
Molecular Weight307.32 g/mol
Exact Mass307.15
IUPAC Nametert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate
SMILESCC(C)[C@H](NC(=O)OC(C)(C)C)c1ncc(C(F)(F)F)[nH]1
InChIInChI=1S/C13H20F3N3O2/c1-7(2)9(19-11(20)21-12(3,4)5)10-17-6-8(18-10)13(14,15)16/h6-7,9H,1-5H3,(H,17,18)(H,19,20)/t9-/m0/s1
InChIKeyHFUOENMWIHHOSP-VIFPVBQESA-N
XLogP3.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-2-methylpropyl]carbamate
CID 58783549
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tert-butyl N-[2-methyl-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)propyl]carbamate
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tert-butyl N-[(1S)-1-[5-[4-[4-[2-[(1S)-1-amino-2-methylpropyl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]carbamate
CID 158181875
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-propan-2-yl-1H-imidazol-5-yl)propanoic acid
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tert-butyl N-[(1S)-1-(5-formyl-1,3-oxazol-2-yl)-2-methylpropyl]carbamate
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tert-butyl N-[1-[5-[4-[4-[2-[4,4-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]-3-methyl-3,4-dihydropyridin-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-2-methylpropyl]carbamate
CID 123614691
tert-butyl N-[(1R)-2-methyl-1-(5-propanoyl-1,3-thiazol-2-yl)propyl]carbamate
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tert-butyl N-[2-amino-1-[3,5-bis(trifluoromethyl)phenyl]propyl]carbamate
CID 89199023
tert-butyl N-[(1R)-1-[5-(4-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate
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S-phenyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate (CID 102970448) is tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate is CC(C)[C@H](NC(=O)OC(C)(C)C)c1ncc(C(F)(F)F)[nH]1.
What is the InChIKey of tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate?
The InChIKey is HFUOENMWIHHOSP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20F3N3O2/c1-7(2)9(19-11(20)21-12(3,4)5)10-17-6-8(18-10)13(14,15)16/h6-7,9H,1-5H3,(H,17,18)(H,19,20)/t9-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate?
tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate has a molecular weight of 307.32 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-methyl-1-[5-(trifluoromethyl)-1H-imidazol-2-yl]propyl]carbamate is sourced from PubChem (CID 102970448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).