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

C18H14ClN3O2 — CID 110879877

IUPAC[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14ClN3O2/c19-13-7-5-12(6-8-13)16-9-20-18(24-16)10-22-15-4-2-1-3-14(15)21-17(22)11-23/h1-9,23H,10-11H2
InChIKeyGUYDFSHMLBZQJT-UHFFFAOYSA-N
MW339.78 g/mol
LogP3.89
Rot. Bonds4

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

[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol (PubChem CID 110879877) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
PubChem CID110879877
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol
SMILESOCc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C18H14ClN3O2/c19-13-7-5-12(6-8-13)16-9-20-18(24-16)10-22-15-4-2-1-3-14(15)21-17(22)11-23/h1-9,23H,10-11H2
InChIKeyGUYDFSHMLBZQJT-UHFFFAOYSA-N
XLogP3.89
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 51110492
2-[[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]amino]ethanol
CID 17466994
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1-methylbenzimidazol-2-yl)methyl]propanamide
CID 134012153
3-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,2,3-benzotriazin-4-one
CID 17446636
3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propan-1-ol
CID 3155712
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
(1-benzyl-6-chlorobenzimidazol-2-yl)methanol
CID 46311001
1-benzyl-6-chloro-4-[(5-phenyl-1,3-oxazol-2-yl)methyl]quinoxaline-2,3-dione
CID 4786114
4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazol-5-one
CID 167827656
2-(benzotriazol-1-ylmethyl)-5-phenyl-1,3-oxazole
CID 8560671
N-[(1-ethylbenzimidazol-2-yl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 51312739
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939

Frequently Asked Questions

What is the IUPAC name of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol?
The IUPAC name of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol (CID 110879877) is [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol?
The canonical SMILES for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol is OCc1nc2ccccc2n1Cc1ncc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol?
The InChIKey is GUYDFSHMLBZQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c19-13-7-5-12(6-8-13)16-9-20-18(24-16)10-22-15-4-2-1-3-14(15)21-17(22)11-23/h1-9,23H,10-11H2.
What are the key properties of [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol?
[1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol has a molecular weight of 339.78 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]benzimidazol-2-yl]methanol is sourced from PubChem (CID 110879877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).