1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

C18H12Cl2N4O2 — CID 66573796

IUPAC1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H12Cl2N4O2/c19-10-5-6-11(12(20)9-10)18-24-23-16(26-18)8-7-15(25)17-21-13-3-1-2-4-14(13)22-17/h1-6,9H,7-8H2,(H,21,22)
InChIKeyAWXYEINDCAIOEL-UHFFFAOYSA-N
MW387.23 g/mol
LogP4.74
Rot. Bonds5

About 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 66573796) has the molecular formula C18H12Cl2N4O2 and a molecular weight of 387.23 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID66573796
Molecular FormulaC18H12Cl2N4O2
Molecular Weight387.23 g/mol
Exact Mass386.03
IUPAC Name1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESO=C(CCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1
InChIInChI=1S/C18H12Cl2N4O2/c19-10-5-6-11(12(20)9-10)18-24-23-16(26-18)8-7-15(25)17-21-13-3-1-2-4-14(13)22-17/h1-6,9H,7-8H2,(H,21,22)
InChIKeyAWXYEINDCAIOEL-UHFFFAOYSA-N
XLogP4.74
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 66573796) is 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is O=C(CCc1nnc(-c2ccc(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is AWXYEINDCAIOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2N4O2/c19-10-5-6-11(12(20)9-10)18-24-23-16(26-18)8-7-15(25)17-21-13-3-1-2-4-14(13)22-17/h1-6,9H,7-8H2,(H,21,22).
What are the key properties of 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 387.23 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 66573796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).