4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C19H16FN3O — CID 90667404

IUPAC4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C19H16FN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3
InChIKeyPPPMTRDNMZVULQ-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.50
Rot. Bonds3

About 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90667404) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90667404
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3cccc(F)c3)c2c1
InChIInChI=1S/C19H16FN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3
InChIKeyPPPMTRDNMZVULQ-UHFFFAOYSA-N
XLogP4.50
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 90667404) is 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ncn(Cc3cccc(F)c3)c2c1.
What is the InChIKey of 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is PPPMTRDNMZVULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-12-19(13(2)24-22-12)15-6-7-17-18(9-15)23(11-21-17)10-14-4-3-5-16(20)8-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 321.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3-fluorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).