5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole

C19H16BrFN4 — CID 22380138

IUPAC5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(Br)ccc21
InChIInChI=1S/C19H16BrFN4/c1-2-25-17-7-6-14(20)11-16(17)23-18(25)12-24-9-8-22-19(24)13-4-3-5-15(21)10-13/h3-11H,2,12H2,1H3
InChIKeyOAUGDYUTFLGSAW-UHFFFAOYSA-N
MW399.27 g/mol
LogP4.87
Rot. Bonds4

About 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole

5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole (PubChem CID 22380138) has the molecular formula C19H16BrFN4 and a molecular weight of 399.27 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole
PubChem CID22380138
Molecular FormulaC19H16BrFN4
Molecular Weight399.27 g/mol
Exact Mass398.05
IUPAC Name5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(Br)ccc21
InChIInChI=1S/C19H16BrFN4/c1-2-25-17-7-6-14(20)11-16(17)23-18(25)12-24-9-8-22-19(24)13-4-3-5-15(21)10-13/h3-11H,2,12H2,1H3
InChIKeyOAUGDYUTFLGSAW-UHFFFAOYSA-N
XLogP4.87
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole (CID 22380138) is 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole?
The InChIKey is OAUGDYUTFLGSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN4/c1-2-25-17-7-6-14(20)11-16(17)23-18(25)12-24-9-8-22-19(24)13-4-3-5-15(21)10-13/h3-11H,2,12H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole?
5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole has a molecular weight of 399.27 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazole is sourced from PubChem (CID 22380138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).