1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole

C21H22F3N3 — CID 24815976

IUPAC1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3
InChIKeySCFTWYRRDFJRSO-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.97
Rot. Bonds3

About 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole

1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole (PubChem CID 24815976) has the molecular formula C21H22F3N3 and a molecular weight of 373.42 g/mol. Its IUPAC name is 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole
PubChem CID24815976
Molecular FormulaC21H22F3N3
Molecular Weight373.42 g/mol
Exact Mass373.18
IUPAC Name1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21
InChIInChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3
InChIKeySCFTWYRRDFJRSO-UHFFFAOYSA-N
XLogP4.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole (CID 24815976) is 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole is Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole?
The InChIKey is SCFTWYRRDFJRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3/c1-26-19-5-3-2-4-18(19)25-20(26)14-27-12-10-16(11-13-27)15-6-8-17(9-7-15)21(22,23)24/h2-9,16H,10-14H2,1H3.
What are the key properties of 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole?
1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole has a molecular weight of 373.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 24815976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).