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

C18H18F3N5 — CID 11627036

IUPAC2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1cccnc1N1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C18H18F3N5/c1-12-3-2-6-22-16(12)25-7-9-26(10-8-25)17-23-14-5-4-13(18(19,20)21)11-15(14)24-17/h2-6,11H,7-10H2,1H3,(H,23,24)
InChIKeyRJHPNUQYHFQVKY-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.61
Rot. Bonds2

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

2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 11627036) has the molecular formula C18H18F3N5 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID11627036
Molecular FormulaC18H18F3N5
Molecular Weight361.37 g/mol
Exact Mass361.15
IUPAC Name2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1cccnc1N1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1
InChIInChI=1S/C18H18F3N5/c1-12-3-2-6-22-16(12)25-7-9-26(10-8-25)17-23-14-5-4-13(18(19,20)21)11-15(14)24-17/h2-6,11H,7-10H2,1H3,(H,23,24)
InChIKeyRJHPNUQYHFQVKY-UHFFFAOYSA-N
XLogP3.61
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 11627036) is 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole is Cc1cccnc1N1CCN(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1.
What is the InChIKey of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is RJHPNUQYHFQVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N5/c1-12-3-2-6-22-16(12)25-7-9-26(10-8-25)17-23-14-5-4-13(18(19,20)21)11-15(14)24-17/h2-6,11H,7-10H2,1H3,(H,23,24).
What are the key properties of 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 361.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 11627036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).