N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

C18H13Cl2N5O2 — CID 56694854

IUPACN-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N5O2/c1-10(26)21-17-16(23-27-24-17)18-22-14-7-2-3-8-15(14)25(18)9-11-12(19)5-4-6-13(11)20/h2-8H,9H2,1H3,(H,21,24,26)
InChIKeySHKKMULIKIRBIV-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.40
Rot. Bonds4

About N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide

N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 56694854) has the molecular formula C18H13Cl2N5O2 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID56694854
Molecular FormulaC18H13Cl2N5O2
Molecular Weight402.24 g/mol
Exact Mass401.04
IUPAC NameN-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C18H13Cl2N5O2/c1-10(26)21-17-16(23-27-24-17)18-22-14-7-2-3-8-15(14)25(18)9-11-12(19)5-4-6-13(11)20/h2-8H,9H2,1H3,(H,21,24,26)
InChIKeySHKKMULIKIRBIV-UHFFFAOYSA-N
XLogP4.40
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide (CID 56694854) is N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1c(Cl)cccc1Cl.
What is the InChIKey of N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is SHKKMULIKIRBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O2/c1-10(26)21-17-16(23-27-24-17)18-22-14-7-2-3-8-15(14)25(18)9-11-12(19)5-4-6-13(11)20/h2-8H,9H2,1H3,(H,21,24,26).
What are the key properties of N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 402.24 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 56694854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).