[1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol

C20H18FN3O3 — CID 56744914

IUPAC[1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol
SMILESCOc1ccc(F)c(-c2nc(Cn3c(CO)nc4ccccc43)c(C)o2)c1
InChIInChI=1S/C20H18FN3O3/c1-12-17(10-24-18-6-4-3-5-16(18)22-19(24)11-25)23-20(27-12)14-9-13(26-2)7-8-15(14)21/h3-9,25H,10-11H2,1-2H3
InChIKeyZDXIYXFCUJCVJP-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.69
Rot. Bonds5

About [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol

[1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol (PubChem CID 56744914) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol
PubChem CID56744914
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC Name[1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol
SMILESCOc1ccc(F)c(-c2nc(Cn3c(CO)nc4ccccc43)c(C)o2)c1
InChIInChI=1S/C20H18FN3O3/c1-12-17(10-24-18-6-4-3-5-16(18)22-19(24)11-25)23-20(27-12)14-9-13(26-2)7-8-15(14)21/h3-9,25H,10-11H2,1-2H3
InChIKeyZDXIYXFCUJCVJP-UHFFFAOYSA-N
XLogP3.69
TPSA73.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol with MolForge

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Related Compounds

3-[[6-(2,6-Dimethylpyridin-3-yl)oxy-7-fluoranyl-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid
CID 137552745
3-[[6-(2,5-Difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 25115277
3-[[6-(3-Fluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 25115278
3-[[6-(3,5-Difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661534
3-[[6-(3-Fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661621
3-[[6-(2-Fluoro-5-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661767
3-[[5-(3-Fluoro-4-methylphenoxy)-3-methylimidazo[4,5-b]pyridin-2-yl]methoxy]benzoic acid
CID 68661925
3-[[6-(2,4-Difluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662059
3-[[6-(4-Fluorophenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662238
[2-(Furan-2-yl)benzimidazol-1-yl]-(4-methoxyphenyl)methanone
CID 662951
[2-Methyl-5-(1-methylbenzimidazol-2-yl)furan-3-yl]-phenylmethanone
CID 874125
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(4-methoxybenzyl)-N-methyl-1,3-benzoxazole-6-carboxamide
CID 24819192

Frequently Asked Questions

What is the IUPAC name of [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol (CID 56744914) is [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol is COc1ccc(F)c(-c2nc(Cn3c(CO)nc4ccccc43)c(C)o2)c1.
What is the InChIKey of [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol?
The InChIKey is ZDXIYXFCUJCVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-12-17(10-24-18-6-4-3-5-16(18)22-19(24)11-25)23-20(27-12)14-9-13(26-2)7-8-15(14)21/h3-9,25H,10-11H2,1-2H3.
What are the key properties of [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol?
[1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol has a molecular weight of 367.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[2-(2-fluoro-5-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 56744914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).