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

C23H26FN3O2 — CID 58312608

IUPACtert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C1=NC(c2ccc(F)cc2)=NC1
InChIInChI=1S/C23H26FN3O2/c1-23(2,3)29-22(28)27-19(14-9-16-7-5-4-6-8-16)20-15-25-21(26-20)17-10-12-18(24)13-11-17/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,27,28)/t19-/m1/s1
InChIKeyCBUUKZOMSGUZEG-LJQANCHMSA-N
MW395.48 g/mol
LogP4.55
Rot. Bonds6

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

tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate (PubChem CID 58312608) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate
PubChem CID58312608
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Nametert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C1=NC(c2ccc(F)cc2)=NC1
InChIInChI=1S/C23H26FN3O2/c1-23(2,3)29-22(28)27-19(14-9-16-7-5-4-6-8-16)20-15-25-21(26-20)17-10-12-18(24)13-11-17/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,27,28)/t19-/m1/s1
InChIKeyCBUUKZOMSGUZEG-LJQANCHMSA-N
XLogP4.55
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-fluoro-1,3-diphenylpropyl)carbamate
CID 176423099
tert-butyl 4-[2-(4-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
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tert-butyl 4-[2-(3-fluorophenyl)-4H-imidazol-5-yl]piperidine-1-carboxylate
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tert-butyl 4-[C-ethenyl-N-(2-fluorobenzenecarboximidoyl)carbonimidoyl]piperidine-1-carboxylate
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tert-butyl N-[1-[4-[N-ethyl-C-(trifluoromethyl)carbonimidoyl]phenyl]ethyl]carbamate
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tert-butyl N-[4-[1-carbamoyl-3-fluoro-6-[(4-fluorophenyl)methylimino]-2,5-dihydropyridin-5-yl]cyclohexyl]carbamate
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tert-butyl N-[(4-fluorophenyl)-phenylmethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate (CID 58312608) is tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate is CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C1=NC(c2ccc(F)cc2)=NC1.
What is the InChIKey of tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate?
The InChIKey is CBUUKZOMSGUZEG-LJQANCHMSA-N. The full InChI is InChI=1S/C23H26FN3O2/c1-23(2,3)29-22(28)27-19(14-9-16-7-5-4-6-8-16)20-15-25-21(26-20)17-10-12-18(24)13-11-17/h4-8,10-13,19H,9,14-15H2,1-3H3,(H,27,28)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate?
tert-butyl N-[(1R)-1-[2-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate has a molecular weight of 395.48 g/mol, XLogP of 4.55, 6 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-(4-fluorophenyl)-4H-imidazol-5-yl]-3-phenylpropyl]carbamate is sourced from PubChem (CID 58312608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).