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

C18H15BrFN5 — CID 22380130

IUPAC5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccc2F)nc2cc(Br)ccc21
InChIInChI=1S/C18H15BrFN5/c1-2-25-15-6-5-12(19)10-14(15)23-16(25)11-24-9-8-22-18(24)17-13(20)4-3-7-21-17/h3-10H,2,11H2,1H3
InChIKeyXFONEWQGIJZYOF-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.26
Rot. Bonds4

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

5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole (PubChem CID 22380130) has the molecular formula C18H15BrFN5 and a molecular weight of 400.26 g/mol. Its IUPAC name is 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole
PubChem CID22380130
Molecular FormulaC18H15BrFN5
Molecular Weight400.26 g/mol
Exact Mass399.05
IUPAC Name5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2ncccc2F)nc2cc(Br)ccc21
InChIInChI=1S/C18H15BrFN5/c1-2-25-15-6-5-12(19)10-14(15)23-16(25)11-24-9-8-22-18(24)17-13(20)4-3-7-21-17/h3-10H,2,11H2,1H3
InChIKeyXFONEWQGIJZYOF-UHFFFAOYSA-N
XLogP4.26
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole?
The IUPAC name of 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole (CID 22380130) is 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole.
What is the SMILES notation for 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole?
The canonical SMILES for 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole is CCn1c(Cn2ccnc2-c2ncccc2F)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole?
The InChIKey is XFONEWQGIJZYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN5/c1-2-25-15-6-5-12(19)10-14(15)23-16(25)11-24-9-8-22-18(24)17-13(20)4-3-7-21-17/h3-10H,2,11H2,1H3.
What are the key properties of 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole?
5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole has a molecular weight of 400.26 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-ethyl-2-[[2-(3-fluoro-2-pyridinyl)imidazol-1-yl]methyl]benzimidazole is sourced from PubChem (CID 22380130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).