N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

C32H23F2N5O2 — CID 138697326

IUPACN-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NC(Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C32H23F2N5O2/c33-26-13-10-21(11-14-26)25-12-15-27(28(34)18-25)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)
InChIKeyYTJXXDVLDUKYHV-UHFFFAOYSA-N
MW547.57 g/mol
LogP6.72
Rot. Bonds8

About N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 138697326) has the molecular formula C32H23F2N5O2 and a molecular weight of 547.57 g/mol. Its IUPAC name is N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID138697326
Molecular FormulaC32H23F2N5O2
Molecular Weight547.57 g/mol
Exact Mass547.18
IUPAC NameN-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESO=C(NC(Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C32H23F2N5O2/c33-26-13-10-21(11-14-26)25-12-15-27(28(34)18-25)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40)
InChIKeyYTJXXDVLDUKYHV-UHFFFAOYSA-N
XLogP6.72
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.57
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
CID 68512339
methyl (2S)-3-imidazol-1-yl-2-[(4-phenylbenzoyl)amino]propanoate
CID 134136445
4-[[amino(pyridin-2-yl)methylidene]amino]-N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-2-propan-2-yloxybenzamide
CID 142299295
2-fluoro-N-(1-imidazol-1-ylpropan-2-yl)-4-phenylbenzamide
CID 47036680
N-[(2S)-1-imidazol-1-yl-4-methylpentan-2-yl]-4-phenylbenzamide
CID 155511960
propan-2-yl (2S)-2-[[4-(2,4-difluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134152409
propan-2-yl (2S)-2-[[4-(2-fluorophenyl)benzoyl]amino]-3-imidazol-1-ylpropanoate
CID 134145234
N-[1-imidazol-1-yl-3-(1H-imidazol-5-yl)propan-2-yl]-4-phenylbenzamide
CID 175034647
N-(2-imidazol-1-yl-1-phenylethyl)-2H-benzotriazole-5-carboxamide
CID 77089106
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
N-(3-imidazol-1-ylpropyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 138697326) is N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is O=C(NC(Cn1ccnc1)c1ccc(-c2ccc(F)cc2)cc1F)c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is YTJXXDVLDUKYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F2N5O2/c33-26-13-10-21(11-14-26)25-12-15-27(28(34)18-25)29(19-39-17-16-35-20-39)36-30(40)22-6-8-24(9-7-22)32-38-37-31(41-32)23-4-2-1-3-5-23/h1-18,20,29H,19H2,(H,36,40).
What are the key properties of N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 547.57 g/mol, XLogP of 6.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-fluoro-4-(4-fluorophenyl)phenyl]-2-imidazol-1-ylethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 138697326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).