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

C22H19FN2O2 — CID 507363

IUPAC2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole
SMILESCOc1cccc(Cn2c(-c3ccccc3F)nc3c(OC)cccc32)c1
InChIInChI=1S/C22H19FN2O2/c1-26-16-8-5-7-15(13-16)14-25-19-11-6-12-20(27-2)21(19)24-22(25)17-9-3-4-10-18(17)23/h3-13H,14H2,1-2H3
InChIKeyDNEVNGWRUIISOU-UHFFFAOYSA-N
MW362.40 g/mol
LogP4.91
Rot. Bonds5

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

2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole (PubChem CID 507363) has the molecular formula C22H19FN2O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole
PubChem CID507363
Molecular FormulaC22H19FN2O2
Molecular Weight362.40 g/mol
Exact Mass362.14
IUPAC Name2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole
SMILESCOc1cccc(Cn2c(-c3ccccc3F)nc3c(OC)cccc32)c1
InChIInChI=1S/C22H19FN2O2/c1-26-16-8-5-7-15(13-16)14-25-19-11-6-12-20(27-2)21(19)24-22(25)17-9-3-4-10-18(17)23/h3-13H,14H2,1-2H3
InChIKeyDNEVNGWRUIISOU-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole (CID 507363) is 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole is COc1cccc(Cn2c(-c3ccccc3F)nc3c(OC)cccc32)c1.
What is the InChIKey of 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole?
The InChIKey is DNEVNGWRUIISOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O2/c1-26-16-8-5-7-15(13-16)14-25-19-11-6-12-20(27-2)21(19)24-22(25)17-9-3-4-10-18(17)23/h3-13H,14H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole?
2-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)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-(2-fluorophenyl)-4-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 507363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).