2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole

C18H18F3N5 — CID 156898005

IUPAC2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(CN3CCN(c4ccncc4)CC3)[nH]c2c1
InChIInChI=1S/C18H18F3N5/c19-18(20,21)13-1-2-15-16(11-13)24-17(23-15)12-25-7-9-26(10-8-25)14-3-5-22-6-4-14/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeySWCVMAXRJONCCM-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.30
Rot. Bonds3

About 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole

2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 156898005) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID156898005
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC Name2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(CN3CCN(c4ccncc4)CC3)[nH]c2c1
InChIInChI=1S/C18H18F3N5/c19-18(20,21)13-1-2-15-16(11-13)24-17(23-15)12-25-7-9-26(10-8-25)14-3-5-22-6-4-14/h1-6,11H,7-10,12H2,(H,23,24)
InChIKeySWCVMAXRJONCCM-UHFFFAOYSA-N
XLogP3.30
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 156898005) is 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(CN3CCN(c4ccncc4)CC3)[nH]c2c1.
What is the InChIKey of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is SWCVMAXRJONCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c19-18(20,21)13-1-2-15-16(11-13)24-17(23-15)12-25-7-9-26(10-8-25)14-3-5-22-6-4-14/h1-6,11H,7-10,12H2,(H,23,24).
What are the key properties of 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 361.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 156898005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).