[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium

C25H29F2N4O2+ — CID 163803294

IUPAC[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium
SMILESCC(C)(C)C(c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N1CC(C[NH3+])OC1=O
InChIInChI=1S/C25H28F2N4O2/c1-25(2,3)22(31-14-18(12-28)33-24(31)32)23-29-21(19-11-17(26)9-10-20(19)27)15-30(23)13-16-7-5-4-6-8-16/h4-11,15,18,22H,12-14,28H2,1-3H3/p+1
InChIKeyNGVIJKQCMJGCBV-UHFFFAOYSA-O
MW455.53 g/mol
LogP4.03
Rot. Bonds6

About [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium

[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium (PubChem CID 163803294) has the molecular formula C25H29F2N4O2+ and a molecular weight of 455.53 g/mol. Its IUPAC name is [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium.

Molecular Properties

Compound Name[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium
PubChem CID163803294
Molecular FormulaC25H29F2N4O2+
Molecular Weight455.53 g/mol
Exact Mass455.23
IUPAC Name[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium
SMILESCC(C)(C)C(c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N1CC(C[NH3+])OC1=O
InChIInChI=1S/C25H28F2N4O2/c1-25(2,3)22(31-14-18(12-28)33-24(31)32)23-29-21(19-11-17(26)9-10-20(19)27)15-30(23)13-16-7-5-4-6-8-16/h4-11,15,18,22H,12-14,28H2,1-3H3/p+1
InChIKeyNGVIJKQCMJGCBV-UHFFFAOYSA-O
XLogP4.03
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[(1R)-1-(1-benzyl-4-phenylimidazol-2-yl)-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]ethyl]isoindole-1,3-dione
CID 59518877
4-[2-[[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-methylamino]ethyl]-1,3-oxazolidine-2,5-dione
CID 145216001
[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylbut-3-enyl]carbamic acid
CID 90458663
4-[(1R)-1-[1-benzyl-4-(3-fluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-methylmorpholin-3-one
CID 90724910
1-benzyl-4-(2,5-difluorophenyl)-2-methylimidazole
CID 123736359
3-[[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]propylcarbamic acid
CID 175108171
7-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-18,18-dimethyl-2,8-dioxo-1-oxa-10-thia-3,7-diazacyclooctadecane-16-carboxylic acid
CID 175103551
tert-butyl 3-[[[[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate
CID 90458052
N-[(3S)-3-amino-4-fluorobutyl]-N-[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-hydroxyacetamide
CID 42641862
benzyl-[(2S)-3-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]-2-hydroxypropyl]carbamic acid
CID 68647474
[4-[[(1R)-1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]amino]-1-methoxybutan-2-yl]carbamic acid
CID 68815446
methyl N-(3-aminopropyl)-N-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]carbamate
CID 76616089

Frequently Asked Questions

What is the IUPAC name of [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium?
The IUPAC name of [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium (CID 163803294) is [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium.
What is the SMILES notation for [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium?
The canonical SMILES for [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium is CC(C)(C)C(c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)N1CC(C[NH3+])OC1=O.
What is the InChIKey of [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium?
The InChIKey is NGVIJKQCMJGCBV-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H28F2N4O2/c1-25(2,3)22(31-14-18(12-28)33-24(31)32)23-29-21(19-11-17(26)9-10-20(19)27)15-30(23)13-16-7-5-4-6-8-16/h4-11,15,18,22H,12-14,28H2,1-3H3/p+1.
What are the key properties of [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium?
[3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium has a molecular weight of 455.53 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-2,2-dimethylpropyl]-2-oxo-1,3-oxazolidin-5-yl]methylazanium is sourced from PubChem (CID 163803294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).