tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate

C24H28FN3O2 — CID 22291428

IUPACtert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H28FN3O2/c1-5-22-27-21(18-8-10-19(25)11-9-18)16-28(22)20-12-6-17(7-13-20)14-15-26-23(29)30-24(2,3)4/h6-13,16H,5,14-15H2,1-4H3,(H,26,29)
InChIKeyWOVRNDYRGJTGEM-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.31
Rot. Bonds6

About tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate

tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate (PubChem CID 22291428) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate
PubChem CID22291428
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Nametert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccc(F)cc2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C24H28FN3O2/c1-5-22-27-21(18-8-10-19(25)11-9-18)16-28(22)20-12-6-17(7-13-20)14-15-26-23(29)30-24(2,3)4/h6-13,16H,5,14-15H2,1-4H3,(H,26,29)
InChIKeyWOVRNDYRGJTGEM-UHFFFAOYSA-N
XLogP5.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethylcarbamic acid
CID 22291351
phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate
CID 22291391
tert-butyl N-[2-(4-pyridin-2-ylphenyl)ethyl]carbamate
CID 21027861
tert-butyl N-[2-[4-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]carbamate
CID 72722591
tert-butyl N-[2-[4-(hydroxymethyl)phenyl]ethyl]carbamate
CID 22337080
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
tert-butyl N-[2-[4-[1-(4-methylphenyl)-1,2,4-triazol-3-yl]phenyl]ethyl]carbamate
CID 90439638
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
ethyl N-[2-(4-fluorophenyl)ethyl]carbamate
CID 52904890
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
tert-butyl 2-[[ethylamino-[2-(4-fluorophenyl)ethylamino]methylidene]amino]acetate
CID 111782846

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate (CID 22291428) is tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate is CCc1nc(-c2ccc(F)cc2)cn1-c1ccc(CCNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate?
The InChIKey is WOVRNDYRGJTGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-5-22-27-21(18-8-10-19(25)11-9-18)16-28(22)20-12-6-17(7-13-20)14-15-26-23(29)30-24(2,3)4/h6-13,16H,5,14-15H2,1-4H3,(H,26,29).
What are the key properties of tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate?
tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate has a molecular weight of 409.51 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[2-ethyl-4-(4-fluorophenyl)imidazol-1-yl]phenyl]ethyl]carbamate is sourced from PubChem (CID 22291428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).