1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole

C21H22F3N3 — CID 97168523

IUPAC1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H22F3N3/c22-21(23,24)20-25-18-10-4-5-11-19(18)27(20)15-17-9-6-12-26(14-17)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1
InChIKeyLLNYVNYXCAUIOA-QGZVFWFLSA-N
MW373.42 g/mol
LogP4.97
Rot. Bonds4

About 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole

1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole (PubChem CID 97168523) has the molecular formula C21H22F3N3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole
PubChem CID97168523
Molecular FormulaC21H22F3N3
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C21H22F3N3/c22-21(23,24)20-25-18-10-4-5-11-19(18)27(20)15-17-9-6-12-26(14-17)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1
InChIKeyLLNYVNYXCAUIOA-QGZVFWFLSA-N
XLogP4.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 71648730
benzyl (2R)-2-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 97168524
1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
3-phenyl-1-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 71961230
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
1-(1-benzylpiperidin-3-yl)-2-(chloromethyl)benzimidazole
CID 71646521
[1-[(1-benzylpiperidin-4-yl)methyl]benzimidazol-2-yl]methanol
CID 71649897
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine
CID 125171194
3-[(3S)-1-benzylpiperidin-3-yl]propanal
CID 129365350

Frequently Asked Questions

What is the IUPAC name of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole (CID 97168523) is 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1C[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole?
The InChIKey is LLNYVNYXCAUIOA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22F3N3/c22-21(23,24)20-25-18-10-4-5-11-19(18)27(20)15-17-9-6-12-26(14-17)13-16-7-2-1-3-8-16/h1-5,7-8,10-11,17H,6,9,12-15H2/t17-/m1/s1.
What are the key properties of 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole?
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole has a molecular weight of 373.42 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 97168523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).