[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

C20H15N5O2 — CID 56877480

IUPAC[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-n3ccnc3-c3cc(-c4ccccc4)no3)cc2[nH]1
InChIInChI=1S/C20H15N5O2/c26-12-19-22-15-7-6-14(10-17(15)23-19)25-9-8-21-20(25)18-11-16(24-27-18)13-4-2-1-3-5-13/h1-11,26H,12H2,(H,22,23)
InChIKeyTWICIOFOWWAKFI-UHFFFAOYSA-N
MW357.37 g/mol
LogP3.56
Rot. Bonds4

About [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol

[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (PubChem CID 56877480) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
PubChem CID56877480
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol
SMILESOCc1nc2ccc(-n3ccnc3-c3cc(-c4ccccc4)no3)cc2[nH]1
InChIInChI=1S/C20H15N5O2/c26-12-19-22-15-7-6-14(10-17(15)23-19)25-9-8-21-20(25)18-11-16(24-27-18)13-4-2-1-3-5-13/h1-11,26H,12H2,(H,22,23)
InChIKeyTWICIOFOWWAKFI-UHFFFAOYSA-N
XLogP3.56
TPSA92.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The IUPAC name of [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol (CID 56877480) is [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol.
What is the SMILES notation for [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The canonical SMILES for [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is OCc1nc2ccc(-n3ccnc3-c3cc(-c4ccccc4)no3)cc2[nH]1.
What is the InChIKey of [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
The InChIKey is TWICIOFOWWAKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O2/c26-12-19-22-15-7-6-14(10-17(15)23-19)25-9-8-21-20(25)18-11-16(24-27-18)13-4-2-1-3-5-13/h1-11,26H,12H2,(H,22,23).
What are the key properties of [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol?
[6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol has a molecular weight of 357.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(3-phenyl-1,2-oxazol-5-yl)imidazol-1-yl]-1H-benzimidazol-2-yl]methanol is sourced from PubChem (CID 56877480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).