5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole

C17H12ClN3O — CID 46949465

IUPAC5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole
SMILESClc1cccc(-c2cc(Cn3cnc4ccccc43)on2)c1
InChIInChI=1S/C17H12ClN3O/c18-13-5-3-4-12(8-13)16-9-14(22-20-16)10-21-11-19-15-6-1-2-7-17(15)21/h1-9,11H,10H2
InChIKeyFECKUPAZFKBXKE-UHFFFAOYSA-N
MW309.76 g/mol
LogP4.39
Rot. Bonds3

About 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole

5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole (PubChem CID 46949465) has the molecular formula C17H12ClN3O and a molecular weight of 309.76 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole
PubChem CID46949465
Molecular FormulaC17H12ClN3O
Molecular Weight309.76 g/mol
Exact Mass309.07
IUPAC Name5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole
SMILESClc1cccc(-c2cc(Cn3cnc4ccccc43)on2)c1
InChIInChI=1S/C17H12ClN3O/c18-13-5-3-4-12(8-13)16-9-14(22-20-16)10-21-11-19-15-6-1-2-7-17(15)21/h1-9,11H,10H2
InChIKeyFECKUPAZFKBXKE-UHFFFAOYSA-N
XLogP4.39
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.76
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole (CID 46949465) is 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole is Clc1cccc(-c2cc(Cn3cnc4ccccc43)on2)c1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole?
The InChIKey is FECKUPAZFKBXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN3O/c18-13-5-3-4-12(8-13)16-9-14(22-20-16)10-21-11-19-15-6-1-2-7-17(15)21/h1-9,11H,10H2.
What are the key properties of 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole?
5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole has a molecular weight of 309.76 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-3-(3-chlorophenyl)-1,2-oxazole is sourced from PubChem (CID 46949465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).