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

C21H19FN4OS — CID 154467873

IUPAC5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol
SMILESCC(C)Cn1c(O)c(C=c2ccc3c(c2)N=CN=3)s/c1=N\c1ccc(F)cc1
InChIInChI=1S/C21H19FN4OS/c1-13(2)11-26-20(27)19(10-14-3-8-17-18(9-14)24-12-23-17)28-21(26)25-16-6-4-15(22)5-7-16/h3-10,12-13,27H,11H2,1-2H3/b14-10?,25-21-
InChIKeyFZNHMMKXUQXPGN-DVECGMFYSA-N
MW394.48 g/mol
LogP3.40
Rot. Bonds4

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

5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol (PubChem CID 154467873) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol
PubChem CID154467873
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol
SMILESCC(C)Cn1c(O)c(C=c2ccc3c(c2)N=CN=3)s/c1=N\c1ccc(F)cc1
InChIInChI=1S/C21H19FN4OS/c1-13(2)11-26-20(27)19(10-14-3-8-17-18(9-14)24-12-23-17)28-21(26)25-16-6-4-15(22)5-7-16/h3-10,12-13,27H,11H2,1-2H3/b14-10?,25-21-
InChIKeyFZNHMMKXUQXPGN-DVECGMFYSA-N
XLogP3.40
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.40
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-(2-methylpropyl)-1,3-thiazol-4-ol?
The IUPAC name of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol (CID 154467873) is 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol?
The canonical SMILES for 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol is CC(C)Cn1c(O)c(C=c2ccc3c(c2)N=CN=3)s/c1=N\c1ccc(F)cc1.
What is the InChIKey of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol?
The InChIKey is FZNHMMKXUQXPGN-DVECGMFYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-13(2)11-26-20(27)19(10-14-3-8-17-18(9-14)24-12-23-17)28-21(26)25-16-6-4-15(22)5-7-16/h3-10,12-13,27H,11H2,1-2H3/b14-10?,25-21-.
What are the key properties of 5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol?
5-(benzimidazol-5-ylidenemethyl)-2-(4-fluorophenyl)imino-3-(2-methylpropyl)-1,3-thiazol-4-ol has a molecular weight of 394.48 g/mol, XLogP of 3.40, 4 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-(2-methylpropyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 154467873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).