7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide

C25H20FN5O2 — CID 46916369

IUPAC7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c3nc(-c4ccccc4)[nH]c3c2)n1
InChIInChI=1S/C25H20FN5O2/c1-14(25-28-15(2)31-33-25)27-24(32)18-12-20(16-8-10-19(26)11-9-16)22-21(13-18)29-23(30-22)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,27,32)(H,29,30)/t14-/m1/s1
InChIKeyNRYGFOXUELAOFA-CQSZACIVSA-N
MW441.47 g/mol
LogP5.22
Rot. Bonds5

About 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide

7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide (PubChem CID 46916369) has the molecular formula C25H20FN5O2 and a molecular weight of 441.47 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide
PubChem CID46916369
Molecular FormulaC25H20FN5O2
Molecular Weight441.47 g/mol
Exact Mass441.16
IUPAC Name7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide
SMILESCc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c3nc(-c4ccccc4)[nH]c3c2)n1
InChIInChI=1S/C25H20FN5O2/c1-14(25-28-15(2)31-33-25)27-24(32)18-12-20(16-8-10-19(26)11-9-16)22-21(13-18)29-23(30-22)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,27,32)(H,29,30)/t14-/m1/s1
InChIKeyNRYGFOXUELAOFA-CQSZACIVSA-N
XLogP5.22
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.47
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 46195075
5-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-oxo-1-pyridin-2-ylpyridine-3-carboxamide
CID 46195217
5-fluoro-N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-phenylbenzamide
CID 95141288
2-(4-fluorobenzoyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 97315521
4-fluoro-N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101349
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 49179701
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,5-dimethoxybenzamide
CID 52513103
N-[1-[3-(2-methyl-1H-benzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 167809122
2-(2-cyanophenyl)-N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 49179532
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
5-(2-fluoro-4-methylphenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide
CID 46194002
3-methyl-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 17101235

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide (CID 46916369) is 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide is Cc1noc([C@@H](C)NC(=O)c2cc(-c3ccc(F)cc3)c3nc(-c4ccccc4)[nH]c3c2)n1.
What is the InChIKey of 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide?
The InChIKey is NRYGFOXUELAOFA-CQSZACIVSA-N. The full InChI is InChI=1S/C25H20FN5O2/c1-14(25-28-15(2)31-33-25)27-24(32)18-12-20(16-8-10-19(26)11-9-16)22-21(13-18)29-23(30-22)17-6-4-3-5-7-17/h3-14H,1-2H3,(H,27,32)(H,29,30)/t14-/m1/s1.
What are the key properties of 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide?
7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide has a molecular weight of 441.47 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-2-phenyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46916369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).