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

C19H15Cl2N3O — CID 90667414

IUPAC4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C19H15Cl2N3O/c1-11-19(12(2)25-23-11)14-4-6-17-18(8-14)24(10-22-17)9-13-3-5-15(20)16(21)7-13/h3-8,10H,9H2,1-2H3
InChIKeyZUJXHMIFKGFLRK-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.66
Rot. Bonds3

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

4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90667414) has the molecular formula C19H15Cl2N3O and a molecular weight of 372.26 g/mol. Its IUPAC name is 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90667414
Molecular FormulaC19H15Cl2N3O
Molecular Weight372.26 g/mol
Exact Mass371.06
IUPAC Name4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c2c1
InChIInChI=1S/C19H15Cl2N3O/c1-11-19(12(2)25-23-11)14-4-6-17-18(8-14)24(10-22-17)9-13-3-5-15(20)16(21)7-13/h3-8,10H,9H2,1-2H3
InChIKeyZUJXHMIFKGFLRK-UHFFFAOYSA-N
XLogP5.66
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 90667414) is 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c2c1.
What is the InChIKey of 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZUJXHMIFKGFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O/c1-11-19(12(2)25-23-11)14-4-6-17-18(8-14)24(10-22-17)9-13-3-5-15(20)16(21)7-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 372.26 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3,4-dichlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).