N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

C18H14BrN5O2 — CID 1280079

IUPACN-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN5O2/c1-11(25)20-17-16(22-26-23-17)18-21-14-4-2-3-5-15(14)24(18)10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,23,25)
InChIKeyVLURHNSIZSKXGU-UHFFFAOYSA-N
MW412.25 g/mol
LogP3.86
Rot. Bonds4

About N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 1280079) has the molecular formula C18H14BrN5O2 and a molecular weight of 412.25 g/mol. Its IUPAC name is N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID1280079
Molecular FormulaC18H14BrN5O2
Molecular Weight412.25 g/mol
Exact Mass411.03
IUPAC NameN-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Br)cc1
InChIInChI=1S/C18H14BrN5O2/c1-11(25)20-17-16(22-26-23-17)18-21-14-4-2-3-5-15(14)24(18)10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,23,25)
InChIKeyVLURHNSIZSKXGU-UHFFFAOYSA-N
XLogP3.86
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 1280079) is N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Br)cc1.
What is the InChIKey of N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is VLURHNSIZSKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5O2/c1-11(25)20-17-16(22-26-23-17)18-21-14-4-2-3-5-15(14)24(18)10-12-6-8-13(19)9-7-12/h2-9H,10H2,1H3,(H,20,23,25).
What are the key properties of N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 412.25 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 1280079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).