3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide

C23H20FN3O2 — CID 1290432

IUPAC3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESCc1cccc(OCCn2c(NC(=O)c3cccc(F)c3)nc3ccccc32)c1
InChIInChI=1S/C23H20FN3O2/c1-16-6-4-9-19(14-16)29-13-12-27-21-11-3-2-10-20(21)25-23(27)26-22(28)17-7-5-8-18(24)15-17/h2-11,14-15H,12-13H2,1H3,(H,25,26,28)
InChIKeyLYWWGQKUNVICGT-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.82
Rot. Bonds6

About 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide

3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide (PubChem CID 1290432) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
PubChem CID1290432
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC Name3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide
SMILESCc1cccc(OCCn2c(NC(=O)c3cccc(F)c3)nc3ccccc32)c1
InChIInChI=1S/C23H20FN3O2/c1-16-6-4-9-19(14-16)29-13-12-27-21-11-3-2-10-20(21)25-23(27)26-22(28)17-7-5-8-18(24)15-17/h2-11,14-15H,12-13H2,1H3,(H,25,26,28)
InChIKeyLYWWGQKUNVICGT-UHFFFAOYSA-N
XLogP4.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The IUPAC name of 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide (CID 1290432) is 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide is Cc1cccc(OCCn2c(NC(=O)c3cccc(F)c3)nc3ccccc32)c1.
What is the InChIKey of 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
The InChIKey is LYWWGQKUNVICGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-16-6-4-9-19(14-16)29-13-12-27-21-11-3-2-10-20(21)25-23(27)26-22(28)17-7-5-8-18(24)15-17/h2-11,14-15H,12-13H2,1H3,(H,25,26,28).
What are the key properties of 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide?
3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide has a molecular weight of 389.43 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]benzamide is sourced from PubChem (CID 1290432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).