1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide

C20H18F3N5O2 — CID 18504887

IUPAC1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)15-4-2-1-3-14(15)19(30)26-7-9-27(10-8-26)28-12-25-16-11-13(18(24)29)5-6-17(16)28/h1-6,11-12H,7-10H2,(H2,24,29)
InChIKeyJXUFAQNFLSNWBS-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.25
Rot. Bonds3

About 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide

1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide (PubChem CID 18504887) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide
PubChem CID18504887
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC Name1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2c(c1)ncn2N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H18F3N5O2/c21-20(22,23)15-4-2-1-3-14(15)19(30)26-7-9-27(10-8-26)28-12-25-16-11-13(18(24)29)5-6-17(16)28/h1-6,11-12H,7-10H2,(H2,24,29)
InChIKeyJXUFAQNFLSNWBS-UHFFFAOYSA-N
XLogP2.25
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide?
The IUPAC name of 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide (CID 18504887) is 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide.
What is the SMILES notation for 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide?
The canonical SMILES for 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide is NC(=O)c1ccc2c(c1)ncn2N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide?
The InChIKey is JXUFAQNFLSNWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c21-20(22,23)15-4-2-1-3-14(15)19(30)26-7-9-27(10-8-26)28-12-25-16-11-13(18(24)29)5-6-17(16)28/h1-6,11-12H,7-10H2,(H2,24,29).
What are the key properties of 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide?
1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzimidazole-5-carboxamide is sourced from PubChem (CID 18504887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).