[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone

C25H15F3N2O2 — CID 155598942

IUPAC[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C25H15F3N2O2/c26-25(27,28)32-18-13-14-22-21(15-18)29-23(30(22)24(31)17-8-2-1-3-9-17)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H
InChIKeyVLRMLGAMXFDGRJ-UHFFFAOYSA-N
MW432.40 g/mol
LogP6.44
Rot. Bonds3

About [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone

[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone (PubChem CID 155598942) has the molecular formula C25H15F3N2O2 and a molecular weight of 432.40 g/mol. Its IUPAC name is [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone
PubChem CID155598942
Molecular FormulaC25H15F3N2O2
Molecular Weight432.40 g/mol
Exact Mass432.11
IUPAC Name[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C25H15F3N2O2/c26-25(27,28)32-18-13-14-22-21(15-18)29-23(30(22)24(31)17-8-2-1-3-9-17)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H
InChIKeyVLRMLGAMXFDGRJ-UHFFFAOYSA-N
XLogP6.44
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.40
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone?
The IUPAC name of [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone (CID 155598942) is [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone.
What is the SMILES notation for [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone?
The canonical SMILES for [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone is O=C(c1ccccc1)n1c(-c2cccc3ccccc23)nc2cc(OC(F)(F)F)ccc21.
What is the InChIKey of [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone?
The InChIKey is VLRMLGAMXFDGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N2O2/c26-25(27,28)32-18-13-14-22-21(15-18)29-23(30(22)24(31)17-8-2-1-3-9-17)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H.
What are the key properties of [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone?
[2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone has a molecular weight of 432.40 g/mol, XLogP of 6.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-naphthalen-1-yl-5-(trifluoromethoxy)benzimidazol-1-yl]-phenylmethanone is sourced from PubChem (CID 155598942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).