tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate

C16H20FN3O2 — CID 156843996

IUPACtert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C1=NC(c2cccc(F)c2)=NC1
InChIInChI=1S/C16H20FN3O2/c1-10(19-15(21)22-16(2,3)4)13-9-18-14(20-13)11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,19,21)/t10-/m1/s1
InChIKeyZOGFCARJNPXPIO-SNVBAGLBSA-N
MW305.35 g/mol
LogP2.94
Rot. Bonds3

About tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate

tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate (PubChem CID 156843996) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate
PubChem CID156843996
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Nametert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)C1=NC(c2cccc(F)c2)=NC1
InChIInChI=1S/C16H20FN3O2/c1-10(19-15(21)22-16(2,3)4)13-9-18-14(20-13)11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,19,21)/t10-/m1/s1
InChIKeyZOGFCARJNPXPIO-SNVBAGLBSA-N
XLogP2.94
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl 3-(1-(3-fluorophenyl)ethylamino)propylcarbamate
CID 22182428
[3-Amino-1-(4-fluoro-phenyl)-propyl]-carbamic acid tert-butyl ester
CID 45026938
tert-butyl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270721
tert-butyl 4-[2-(3,5-difluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270831
tert-butyl 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270845
tert-butyl 4-[2-(2-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
CID 58270879
tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate
CID 58312608
tert-butyl N-[(3R)-1-[[amino-(2,5-difluorophenyl)methylidene]amino]-4,4-dimethyl-2-oxopentan-3-yl]carbamate
CID 58473051
tert-butyl N-[(1R)-1-[5-(2,5-difluorophenyl)-3H-pyrrol-2-yl]-2,2-dimethylpropyl]carbamate
CID 58507537
tert-butyl N-[(4-carbamimidoyl-2-fluorophenyl)methyl]carbamate
CID 64406610
tert-butyl N-[3-amino-3-(4-fluorophenyl)propyl]carbamate
CID 69379839
tert-butyl N-[[2-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]carbamate
CID 76995431

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate (CID 156843996) is tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)C1=NC(c2cccc(F)c2)=NC1.
What is the InChIKey of tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate?
The InChIKey is ZOGFCARJNPXPIO-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-10(19-15(21)22-16(2,3)4)13-9-18-14(20-13)11-6-5-7-12(17)8-11/h5-8,10H,9H2,1-4H3,(H,19,21)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate?
tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate has a molecular weight of 305.35 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[2-(3-fluorophenyl)-4H-imidazol-5-yl]ethyl]carbamate is sourced from PubChem (CID 156843996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).