5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol

C24H17FN4OS — CID 154467870

IUPAC5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol
SMILESCc1ccc(-n2c(O)c(C=c3ccc4c(c3)N=CN=4)s/c2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN4OS/c1-15-2-9-19(10-3-15)29-23(30)22(13-16-4-11-20-21(12-16)27-14-26-20)31-24(29)28-18-7-5-17(25)6-8-18/h2-14,30H,1H3/b16-13?,28-24-
InChIKeyGJOGINONHDQPPS-RQDLVLFGSA-N
MW428.49 g/mol
LogP4.05
Rot. Bonds3

About 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol

5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol (PubChem CID 154467870) has the molecular formula C24H17FN4OS and a molecular weight of 428.49 g/mol. Its IUPAC name is 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol
PubChem CID154467870
Molecular FormulaC24H17FN4OS
Molecular Weight428.49 g/mol
Exact Mass428.11
IUPAC Name5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol
SMILESCc1ccc(-n2c(O)c(C=c3ccc4c(c3)N=CN=4)s/c2=N\c2ccc(F)cc2)cc1
InChIInChI=1S/C24H17FN4OS/c1-15-2-9-19(10-3-15)29-23(30)22(13-16-4-11-20-21(12-16)27-14-26-20)31-24(29)28-18-7-5-17(25)6-8-18/h2-14,30H,1H3/b16-13?,28-24-
InChIKeyGJOGINONHDQPPS-RQDLVLFGSA-N
XLogP4.05
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol?
The IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol (CID 154467870) is 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol is Cc1ccc(-n2c(O)c(C=c3ccc4c(c3)N=CN=4)s/c2=N\c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol?
The InChIKey is GJOGINONHDQPPS-RQDLVLFGSA-N. The full InChI is InChI=1S/C24H17FN4OS/c1-15-2-9-19(10-3-15)29-23(30)22(13-16-4-11-20-21(12-16)27-14-26-20)31-24(29)28-18-7-5-17(25)6-8-18/h2-14,30H,1H3/b16-13?,28-24-.
What are the key properties of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol?
5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol has a molecular weight of 428.49 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(4-methylphenyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 154467870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).