5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole

C18H15N3O2 — CID 166320009

IUPAC5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
SMILESc1ccc(OCc2nc3ccccc3n2Cc2cnco2)cc1
InChIInChI=1S/C18H15N3O2/c1-2-6-14(7-3-1)22-12-18-20-16-8-4-5-9-17(16)21(18)11-15-10-19-13-23-15/h1-10,13H,11-12H2
InChIKeyKRLBKTGKMWIJGP-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.65
Rot. Bonds5

About 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole

5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole (PubChem CID 166320009) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
PubChem CID166320009
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole
SMILESc1ccc(OCc2nc3ccccc3n2Cc2cnco2)cc1
InChIInChI=1S/C18H15N3O2/c1-2-6-14(7-3-1)22-12-18-20-16-8-4-5-9-17(16)21(18)11-15-10-19-13-23-15/h1-10,13H,11-12H2
InChIKeyKRLBKTGKMWIJGP-UHFFFAOYSA-N
XLogP3.65
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
1-(2-phenoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 709525
2-[2-(phenoxymethyl)benzimidazol-1-yl]ethanamine
CID 28752967
2-(phenoxymethyl)-1-prop-2-ynylbenzimidazole
CID 2992200
1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
1-(cyclopropylmethyl)-2-(phenoxymethyl)benzimidazole
CID 139007627
4-[2-(phenoxymethyl)benzimidazol-1-yl]butan-1-amine
CID 82144770
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
2-(phenoxymethyl)-1-(2-piperidin-1-ylethyl)benzimidazole
CID 112828549
4-[2-(phenoxymethyl)benzimidazol-1-yl]butanenitrile
CID 82150424
1-[3-(4-methylphenoxy)propyl]-2-(phenoxymethyl)benzimidazole
CID 5201852
3,5-dimethyl-4-[[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]methyl]-1,2-oxazole
CID 78766650

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole (CID 166320009) is 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole is c1ccc(OCc2nc3ccccc3n2Cc2cnco2)cc1.
What is the InChIKey of 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
The InChIKey is KRLBKTGKMWIJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c1-2-6-14(7-3-1)22-12-18-20-16-8-4-5-9-17(16)21(18)11-15-10-19-13-23-15/h1-10,13H,11-12H2.
What are the key properties of 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole?
5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole has a molecular weight of 305.34 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 166320009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).