4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol

C20H19N3O2 — CID 90667393

IUPAC4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C)n2Cc1ccc(O)cc1
InChIInChI=1S/C20H19N3O2/c1-12-20(13(2)25-22-12)16-6-9-19-18(10-16)21-14(3)23(19)11-15-4-7-17(24)8-5-15/h4-10,24H,11H2,1-3H3
InChIKeyXUMWFFNIMAFKJH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.37
Rot. Bonds3

About 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol

4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol (PubChem CID 90667393) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol
PubChem CID90667393
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol
SMILESCc1noc(C)c1-c1ccc2c(c1)nc(C)n2Cc1ccc(O)cc1
InChIInChI=1S/C20H19N3O2/c1-12-20(13(2)25-22-12)16-6-9-19-18(10-16)21-14(3)23(19)11-15-4-7-17(24)8-5-15/h4-10,24H,11H2,1-3H3
InChIKeyXUMWFFNIMAFKJH-UHFFFAOYSA-N
XLogP4.37
TPSA64.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol (CID 90667393) is 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol is Cc1noc(C)c1-c1ccc2c(c1)nc(C)n2Cc1ccc(O)cc1.
What is the InChIKey of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol?
The InChIKey is XUMWFFNIMAFKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-20(13(2)25-22-12)16-6-9-19-18(10-16)21-14(3)23(19)11-15-4-7-17(24)8-5-15/h4-10,24H,11H2,1-3H3.
What are the key properties of 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol?
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol has a molecular weight of 333.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol is sourced from PubChem (CID 90667393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).