1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

C26H27FN2 — CID 3499355

IUPAC1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2F)cc1
InChIInChI=1S/C26H27FN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3
InChIKeyJSFZAGDMYIABOV-UHFFFAOYSA-N
MW386.51 g/mol
LogP6.57
Rot. Bonds6

About 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole

1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (PubChem CID 3499355) has the molecular formula C26H27FN2 and a molecular weight of 386.51 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
PubChem CID3499355
Molecular FormulaC26H27FN2
Molecular Weight386.51 g/mol
Exact Mass386.22
IUPAC Name1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
SMILESCC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2F)cc1
InChIInChI=1S/C26H27FN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3
InChIKeyJSFZAGDMYIABOV-UHFFFAOYSA-N
XLogP6.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.51
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole (CID 3499355) is 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is CC(C)Cc1ccc(C(C)c2nc3ccccc3n2Cc2ccccc2F)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
The InChIKey is JSFZAGDMYIABOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2/c1-18(2)16-20-12-14-21(15-13-20)19(3)26-28-24-10-6-7-11-25(24)29(26)17-22-8-4-5-9-23(22)27/h4-15,18-19H,16-17H2,1-3H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole?
1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole has a molecular weight of 386.51 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2-[1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole is sourced from PubChem (CID 3499355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).