2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole

C22H19FN2O2 — CID 20930563

IUPAC2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-26-18-11-16(12-19(13-18)27-2)22-24-20-5-3-4-6-21(20)25(22)14-15-7-9-17(23)10-8-15/h3-13H,14H2,1-2H3
InChIKeyNZLPWNLVSZBNMK-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.91
Rot. Bonds5

About 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole

2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole (PubChem CID 20930563) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
PubChem CID20930563
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole
SMILESCOc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c1
InChIInChI=1S/C22H19FN2O2/c1-26-18-11-16(12-19(13-18)27-2)22-24-20-5-3-4-6-21(20)25(22)14-15-7-9-17(23)10-8-15/h3-13H,14H2,1-2H3
InChIKeyNZLPWNLVSZBNMK-UHFFFAOYSA-N
XLogP4.91
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxyphenyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 20930584
1-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)benzimidazole
CID 20930586
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
1-[(4-bromophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001698
4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]aniline
CID 92629103
1-[(4-fluorophenyl)methyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998087
1-[(4-methoxyphenyl)methyl]-2-(5-methylfuran-2-yl)benzimidazole
CID 129161888
1-[(4-methoxyphenyl)methyl]-2-(2-methylphenyl)benzimidazole
CID 17000627
1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 20930588
1-[(3-chlorophenyl)methyl]-2-(4-fluorophenyl)benzimidazole
CID 19243208
3-[(4-chlorophenyl)methyl]-2-(3,5-dimethoxyphenyl)quinazolin-4-one
CID 46083232
1-[(2,6-dichlorophenyl)methyl]-2-(3-methoxyphenyl)benzimidazole
CID 17001690

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole (CID 20930563) is 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole is COc1cc(OC)cc(-c2nc3ccccc3n2Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole?
The InChIKey is NZLPWNLVSZBNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-26-18-11-16(12-19(13-18)27-2)22-24-20-5-3-4-6-21(20)25(22)14-15-7-9-17(23)10-8-15/h3-13H,14H2,1-2H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole?
2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole has a molecular weight of 362.40 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-1-[(4-fluorophenyl)methyl]benzimidazole is sourced from PubChem (CID 20930563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).