6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole

C18H15F4N3 — CID 166873267

IUPAC6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1N1CCCC1
InChIInChI=1S/C18H15F4N3/c19-13-9-14-15(10-16(13)25-7-1-2-8-25)24-17(23-14)11-3-5-12(6-4-11)18(20,21)22/h3-6,9-10H,1-2,7-8H2,(H,23,24)
InChIKeyZMFWOBMCDFWYQQ-UHFFFAOYSA-N
MW349.33 g/mol
LogP4.99
Rot. Bonds2

About 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole

6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole (PubChem CID 166873267) has the molecular formula C18H15F4N3 and a molecular weight of 349.33 g/mol. Its IUPAC name is 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole
PubChem CID166873267
Molecular FormulaC18H15F4N3
Molecular Weight349.33 g/mol
Exact Mass349.12
IUPAC Name6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole
SMILESFc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1N1CCCC1
InChIInChI=1S/C18H15F4N3/c19-13-9-14-15(10-16(13)25-7-1-2-8-25)24-17(23-14)11-3-5-12(6-4-11)18(20,21)22/h3-6,9-10H,1-2,7-8H2,(H,23,24)
InChIKeyZMFWOBMCDFWYQQ-UHFFFAOYSA-N
XLogP4.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole (CID 166873267) is 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole is Fc1cc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc2cc1N1CCCC1.
What is the InChIKey of 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole?
The InChIKey is ZMFWOBMCDFWYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N3/c19-13-9-14-15(10-16(13)25-7-1-2-8-25)24-17(23-14)11-3-5-12(6-4-11)18(20,21)22/h3-6,9-10H,1-2,7-8H2,(H,23,24).
What are the key properties of 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole?
6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole has a molecular weight of 349.33 g/mol, XLogP of 4.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-pyrrolidin-1-yl-2-[4-(trifluoromethyl)phenyl]-1H-benzimidazole is sourced from PubChem (CID 166873267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).