6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride

C18H19ClF3N5 — CID 11661246

IUPAC6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride
SMILESCc1ccc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.Cl
InChIInChI=1S/C18H18F3N5.ClH/c1-12-4-5-14-15(11-12)24-17(23-14)26-9-7-25(8-10-26)16-13(18(19,20)21)3-2-6-22-16;/h2-6,11H,7-10H2,1H3,(H,23,24);1H
InChIKeyWIJPKWWLSCQPHD-UHFFFAOYSA-N
MW397.83 g/mol
LogP4.03
Rot. Bonds2

About 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride

6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride (PubChem CID 11661246) has the molecular formula C18H19ClF3N5 and a molecular weight of 397.83 g/mol. Its IUPAC name is 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride
PubChem CID11661246
Molecular FormulaC18H19ClF3N5
Molecular Weight397.83 g/mol
Exact Mass397.13
IUPAC Name6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride
SMILESCc1ccc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.Cl
InChIInChI=1S/C18H18F3N5.ClH/c1-12-4-5-14-15(11-12)24-17(23-14)26-9-7-25(8-10-26)16-13(18(19,20)21)3-2-6-22-16;/h2-6,11H,7-10H2,1H3,(H,23,24);1H
InChIKeyWIJPKWWLSCQPHD-UHFFFAOYSA-N
XLogP4.03
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.83
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride?
The IUPAC name of 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride (CID 11661246) is 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride.
What is the SMILES notation for 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride?
The canonical SMILES for 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride is Cc1ccc2nc(N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1.Cl.
What is the InChIKey of 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride?
The InChIKey is WIJPKWWLSCQPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5.ClH/c1-12-4-5-14-15(11-12)24-17(23-14)26-9-7-25(8-10-26)16-13(18(19,20)21)3-2-6-22-16;/h2-6,11H,7-10H2,1H3,(H,23,24);1H.
What are the key properties of 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride?
6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride has a molecular weight of 397.83 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole;hydrochloride is sourced from PubChem (CID 11661246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).