1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole

C23H19FN4S — CID 22380053

IUPAC1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C23H19FN4S/c1-2-28-21-7-6-16(18-8-11-29-15-18)13-20(21)26-22(28)14-27-10-9-25-23(27)17-4-3-5-19(24)12-17/h3-13,15H,2,14H2,1H3
InChIKeyCYXQXJUEGTYILX-UHFFFAOYSA-N
MW402.50 g/mol
LogP5.84
Rot. Bonds5

About 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole

1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole (PubChem CID 22380053) has the molecular formula C23H19FN4S and a molecular weight of 402.50 g/mol. Its IUPAC name is 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole
PubChem CID22380053
Molecular FormulaC23H19FN4S
Molecular Weight402.50 g/mol
Exact Mass402.13
IUPAC Name1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3ccsc3)ccc21
InChIInChI=1S/C23H19FN4S/c1-2-28-21-7-6-16(18-8-11-29-15-18)13-20(21)26-22(28)14-27-10-9-25-23(27)17-4-3-5-19(24)12-17/h3-13,15H,2,14H2,1H3
InChIKeyCYXQXJUEGTYILX-UHFFFAOYSA-N
XLogP5.84
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole?
The IUPAC name of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole (CID 22380053) is 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole?
The canonical SMILES for 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3ccsc3)ccc21.
What is the InChIKey of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole?
The InChIKey is CYXQXJUEGTYILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4S/c1-2-28-21-7-6-16(18-8-11-29-15-18)13-20(21)26-22(28)14-27-10-9-25-23(27)17-4-3-5-19(24)12-17/h3-13,15H,2,14H2,1H3.
What are the key properties of 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole?
1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole has a molecular weight of 402.50 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]-5-thiophen-3-ylbenzimidazole is sourced from PubChem (CID 22380053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).