N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide

C23H16FN5O2 — CID 1130340

IUPACN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H16FN5O2/c24-17-12-10-16(11-13-17)23(30)26-21-20(27-31-28-21)22-25-18-8-4-5-9-19(18)29(22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28,30)
InChIKeySMVAHCIHLASRBF-UHFFFAOYSA-N
MW413.41 g/mol
LogP4.53
Rot. Bonds5

About N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide

N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide (PubChem CID 1130340) has the molecular formula C23H16FN5O2 and a molecular weight of 413.41 g/mol. Its IUPAC name is N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
PubChem CID1130340
Molecular FormulaC23H16FN5O2
Molecular Weight413.41 g/mol
Exact Mass413.13
IUPAC NameN-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C23H16FN5O2/c24-17-12-10-16(11-13-17)23(30)26-21-20(27-31-28-21)22-25-18-8-4-5-9-19(18)29(22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28,30)
InChIKeySMVAHCIHLASRBF-UHFFFAOYSA-N
XLogP4.53
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide (CID 1130340) is N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide is O=C(Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
The InChIKey is SMVAHCIHLASRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FN5O2/c24-17-12-10-16(11-13-17)23(30)26-21-20(27-31-28-21)22-25-18-8-4-5-9-19(18)29(22)14-15-6-2-1-3-7-15/h1-13H,14H2,(H,26,28,30).
What are the key properties of N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide?
N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide has a molecular weight of 413.41 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 1130340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).