phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone

C17H11N3OS — CID 11587570

IUPACphenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C17H11N3OS/c21-16(11-4-2-1-3-5-11)12-6-7-13-14(8-12)20-17(19-13)15-9-22-10-18-15/h1-10H,(H,19,20)
InChIKeyDUXGXOSPVHKQIY-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.92
Rot. Bonds3

About phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone

phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone (PubChem CID 11587570) has the molecular formula C17H11N3OS and a molecular weight of 305.36 g/mol. Its IUPAC name is phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone
PubChem CID11587570
Molecular FormulaC17H11N3OS
Molecular Weight305.36 g/mol
Exact Mass305.06
IUPAC Namephenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone
SMILESO=C(c1ccccc1)c1ccc2nc(-c3cscn3)[nH]c2c1
InChIInChI=1S/C17H11N3OS/c21-16(11-4-2-1-3-5-11)12-6-7-13-14(8-12)20-17(19-13)15-9-22-10-18-15/h1-10H,(H,19,20)
InChIKeyDUXGXOSPVHKQIY-UHFFFAOYSA-N
XLogP3.92
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone?
The IUPAC name of phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone (CID 11587570) is phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone.
What is the SMILES notation for phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone?
The canonical SMILES for phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone is O=C(c1ccccc1)c1ccc2nc(-c3cscn3)[nH]c2c1.
What is the InChIKey of phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone?
The InChIKey is DUXGXOSPVHKQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3OS/c21-16(11-4-2-1-3-5-11)12-6-7-13-14(8-12)20-17(19-13)15-9-22-10-18-15/h1-10H,(H,19,20).
What are the key properties of phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone?
phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone has a molecular weight of 305.36 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-(1,3-thiazol-4-yl)-3H-benzimidazol-5-yl]methanone is sourced from PubChem (CID 11587570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).