6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole

C15H13FN2O2 — CID 71296316

IUPAC6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
SMILESCOc1ccccc1OCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H13FN2O2/c1-19-13-4-2-3-5-14(13)20-9-15-17-11-7-6-10(16)8-12(11)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyUAVUQTPVFDRDOE-UHFFFAOYSA-N
MW272.28 g/mol
LogP3.29
Rot. Bonds4

About 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole

6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole (PubChem CID 71296316) has the molecular formula C15H13FN2O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
PubChem CID71296316
Molecular FormulaC15H13FN2O2
Molecular Weight272.28 g/mol
Exact Mass272.10
IUPAC Name6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole
SMILESCOc1ccccc1OCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C15H13FN2O2/c1-19-13-4-2-3-5-14(13)20-9-15-17-11-7-6-10(16)8-12(11)18-15/h2-8H,9H2,1H3,(H,17,18)
InChIKeyUAVUQTPVFDRDOE-UHFFFAOYSA-N
XLogP3.29
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-2-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]methyl]-1H-benzimidazole
CID 46264639
6-fluoro-2-[(4-fluorophenoxy)methyl]-1H-benzimidazole
CID 23613775
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
6-chloro-2-[(2-methylphenoxy)methyl]-1H-benzimidazole
CID 26820083
4-[[6-[[2-(1H-benzimidazol-2-ylmethoxy)-4-fluoro-5-formylphenoxy]methyl]-1H-benzimidazol-2-yl]methoxy]-2-fluoro-5-methoxybenzaldehyde
CID 143384104
2-(2,6-dimethoxyphenyl)-6-fluoro-1H-benzimidazole
CID 60979329
6-bromo-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 50754096
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
6-ethoxy-2-[(2-propan-2-ylphenoxy)methyl]-1H-benzimidazole
CID 27408358
3-[(2,4-difluorophenyl)methoxy]-4-[(6-methyl-1H-benzimidazol-2-yl)methoxy]benzoic acid
CID 59049847
6-bromo-2-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1H-benzimidazole
CID 50754077
N-(1H-benzimidazol-2-ylmethyl)-1-[2-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 66537187

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole (CID 71296316) is 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole is COc1ccccc1OCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole?
The InChIKey is UAVUQTPVFDRDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O2/c1-19-13-4-2-3-5-14(13)20-9-15-17-11-7-6-10(16)8-12(11)18-15/h2-8H,9H2,1H3,(H,17,18).
What are the key properties of 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole?
6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole has a molecular weight of 272.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 71296316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).