6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole

C18H17FN2O2 — CID 46264639

IUPAC6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
SMILESC/C=C/c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1
InChIInChI=1S/C18H17FN2O2/c1-3-4-12-5-8-16(17(9-12)22-2)23-11-18-20-14-7-6-13(19)10-15(14)21-18/h3-10H,11H2,1-2H3,(H,20,21)/b4-3+
InChIKeyCFIBUZXYQCTTIT-ONEGZZNKSA-N
MW312.34 g/mol
LogP4.32
Rot. Bonds5

About 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole

6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole (PubChem CID 46264639) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
PubChem CID46264639
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
SMILESC/C=C/c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1
InChIInChI=1S/C18H17FN2O2/c1-3-4-12-5-8-16(17(9-12)22-2)23-11-18-20-14-7-6-13(19)10-15(14)21-18/h3-10H,11H2,1-2H3,(H,20,21)/b4-3+
InChIKeyCFIBUZXYQCTTIT-ONEGZZNKSA-N
XLogP4.32
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole (CID 46264639) is 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole is C/C=C/c1ccc(OCc2nc3ccc(F)cc3[nH]2)c(OC)c1.
What is the InChIKey of 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole?
The InChIKey is CFIBUZXYQCTTIT-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-3-4-12-5-8-16(17(9-12)22-2)23-11-18-20-14-7-6-13(19)10-15(14)21-18/h3-10H,11H2,1-2H3,(H,20,21)/b4-3+.
What are the key properties of 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole?
6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole has a molecular weight of 312.34 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole is sourced from PubChem (CID 46264639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).