1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole

C22H19FN2O2 — CID 16998087

IUPAC1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
SMILESCOc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-26-18-5-4-6-19(13-18)27-15-22-24-20-7-2-3-8-21(20)25(22)14-16-9-11-17(23)12-10-16/h2-13H,14-15H2,1H3
InChIKeyNAMDKMXDPCYHJQ-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.81
Rot. Bonds6

About 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole

1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole (PubChem CID 16998087) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
PubChem CID16998087
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
SMILESCOc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-26-18-5-4-6-19(13-18)27-15-22-24-20-7-2-3-8-21(20)25(22)14-16-9-11-17(23)12-10-16/h2-13H,14-15H2,1H3
InChIKeyNAMDKMXDPCYHJQ-UHFFFAOYSA-N
XLogP4.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyphenyl)methyl]-2-(phenoxymethyl)benzimidazole
CID 71620987
2-[(2-methoxyphenoxy)methyl]-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 16997463
1-benzyl-2-(phenoxymethyl)benzimidazole
CID 712249
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
CID 20930563
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16998094
5-fluoro-2-[[2-[[3-(trioxidanyl)phenoxy]methyl]benzimidazol-1-yl]methyl]phenol
CID 142221114
methyl 2-[3-[[1-[(2-chloro-4-fluorophenyl)methyl]benzimidazol-2-yl]methoxy]phenyl]acetate
CID 70037006
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
1-[4-(3-methoxyphenoxy)butyl]-2-[(2-methylphenoxy)methyl]benzimidazole
CID 16997784
2-(methoxymethyl)-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16996931
2-(chloromethyl)-5-fluoro-1-[(3-methoxyphenyl)methyl]benzimidazole
CID 61029065
[4-[[2-(methoxymethyl)benzimidazol-1-yl]methyl]phenyl]methanamine
CID 82150134

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole (CID 16998087) is 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole is COc1cccc(OCc2nc3ccccc3n2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole?
The InChIKey is NAMDKMXDPCYHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-26-18-5-4-6-19(13-18)27-15-22-24-20-7-2-3-8-21(20)25(22)14-16-9-11-17(23)12-10-16/h2-13H,14-15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole?
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole has a molecular weight of 362.40 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole is sourced from PubChem (CID 16998087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).