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

C23H21FN2O3 — CID 20930588

IUPAC1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-c2nc3ccccc3n2Cc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C23H21FN2O3/c1-27-20-12-16(13-21(28-2)22(20)29-3)23-25-18-9-4-5-10-19(18)26(23)14-15-7-6-8-17(24)11-15/h4-13H,14H2,1-3H3
InChIKeyOLDAZPDRTLBKMD-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.92
Rot. Bonds6

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

1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole (PubChem CID 20930588) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
PubChem CID20930588
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole
SMILESCOc1cc(-c2nc3ccccc3n2Cc2cccc(F)c2)cc(OC)c1OC
InChIInChI=1S/C23H21FN2O3/c1-27-20-12-16(13-21(28-2)22(20)29-3)23-25-18-9-4-5-10-19(18)26(23)14-15-7-6-8-17(24)11-15/h4-13H,14H2,1-3H3
InChIKeyOLDAZPDRTLBKMD-UHFFFAOYSA-N
XLogP4.92
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-butyl-8-(3,4,5-trimethoxybenzyl)-9H-purin-6-amine
CID 448965
Metodesnitazene
CID 26412
1-(4-methoxybenzyl)-2-(4-methoxyphenyl)-1H-benzo(d)imidazole
CID 746182
2-[(3,4-dimethoxyphenyl)methyl]-1H-1,3-benzodiazole
CID 393989
1-Ethyl-2-(4-methoxy-benzyl)-1H-benzoimidazole
CID 962281
(1-Ethyl-1H-benzoimidazol-2-yl)-(4-methoxy-benzyl)-amine
CID 1087008
4-[1-(4-Hydroxy-3-methoxybenzyl)-1H-benzimidazol-2-yl]-2-methoxyphenol
CID 617669
N-(3,4-dimethoxybenzyl)-1-ethyl-1H-benzimidazol-2-amine
CID 937788
(2,4-Dimethoxy-benzyl)-(1-methyl-1H-benzoimidazol-2-yl)-amine
CID 932019
6-(4-methyl-1-piperazinyl)-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 1477780
N-[(3,4-dimethoxyphenyl)methyl]-1-phenylbenzimidazol-5-amine
CID 1349681
(3,4-Dimethoxy-benzyl)-(1,2-dimethyl-1H-benzoimidazol-5-yl)-amine
CID 763669

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole (CID 20930588) is 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole is COc1cc(-c2nc3ccccc3n2Cc2cccc(F)c2)cc(OC)c1OC.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
The InChIKey is OLDAZPDRTLBKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-27-20-12-16(13-21(28-2)22(20)29-3)23-25-18-9-4-5-10-19(18)26(23)14-15-7-6-8-17(24)11-15/h4-13H,14H2,1-3H3.
What are the key properties of 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole?
1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole has a molecular weight of 392.43 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)benzimidazole is sourced from PubChem (CID 20930588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).