1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole

C19H20F3N5 — CID 46225337

IUPAC1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc21
InChIInChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3
InChIKeyOBGKLELCXBROAY-UHFFFAOYSA-N
MW375.40 g/mol
LogP3.31
Rot. Bonds3

About 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole

1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole (PubChem CID 46225337) has the molecular formula C19H20F3N5 and a molecular weight of 375.40 g/mol. Its IUPAC name is 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole
PubChem CID46225337
Molecular FormulaC19H20F3N5
Molecular Weight375.40 g/mol
Exact Mass375.17
IUPAC Name1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole
SMILESCn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc21
InChIInChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3
InChIKeyOBGKLELCXBROAY-UHFFFAOYSA-N
XLogP3.31
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole (CID 46225337) is 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole is Cn1c(CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole?
The InChIKey is OBGKLELCXBROAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5/c1-25-16-5-3-2-4-15(16)24-18(25)13-26-8-10-27(11-9-26)17-7-6-14(12-23-17)19(20,21)22/h2-7,12H,8-11,13H2,1H3.
What are the key properties of 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole?
1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole has a molecular weight of 375.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 46225337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).