6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole

C19H17F4N3 — CID 75615105

IUPAC6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN(Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H17F4N3/c20-15-5-6-16-17(9-15)25-18(24-16)13-7-8-26(11-13)10-12-1-3-14(4-2-12)19(21,22)23/h1-6,9,13H,7-8,10-11H2,(H,24,25)
InChIKeyGEYNCDPYQZKMAZ-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.71
Rot. Bonds3

About 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole

6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 75615105) has the molecular formula C19H17F4N3 and a molecular weight of 363.36 g/mol. Its IUPAC name is 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID75615105
Molecular FormulaC19H17F4N3
Molecular Weight363.36 g/mol
Exact Mass363.14
IUPAC Name6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESFc1ccc2nc(C3CCN(Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1
InChIInChI=1S/C19H17F4N3/c20-15-5-6-16-17(9-15)25-18(24-16)13-7-8-26(11-13)10-12-1-3-14(4-2-12)19(21,22)23/h1-6,9,13H,7-8,10-11H2,(H,24,25)
InChIKeyGEYNCDPYQZKMAZ-UHFFFAOYSA-N
XLogP4.71
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole (CID 75615105) is 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole is Fc1ccc2nc(C3CCN(Cc4ccc(C(F)(F)F)cc4)C3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is GEYNCDPYQZKMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3/c20-15-5-6-16-17(9-15)25-18(24-16)13-7-8-26(11-13)10-12-1-3-14(4-2-12)19(21,22)23/h1-6,9,13H,7-8,10-11H2,(H,24,25).
What are the key properties of 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole?
6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 363.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 75615105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).