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

C19H16ClN3O — CID 90667406

IUPAC4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-17-18(9-15)23(11-21-17)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3
InChIKeyLQZYUCMXNLZQAF-UHFFFAOYSA-N
MW337.81 g/mol
LogP5.01
Rot. Bonds3

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

4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 90667406) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID90667406
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-17-18(9-15)23(11-21-17)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3
InChIKeyLQZYUCMXNLZQAF-UHFFFAOYSA-N
XLogP5.01
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.81
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 90667406) is 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2ncn(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is LQZYUCMXNLZQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c1-12-19(13(2)24-22-12)15-5-8-17-18(9-15)23(11-21-17)10-14-3-6-16(20)7-4-14/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 337.81 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chlorophenyl)methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).