(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

C23H27F3N6O — CID 70343124

IUPAC(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCCCc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)[nH]c2c1
InChIInChI=1S/C23H27F3N6O/c1-3-4-6-16-8-9-18-19(13-16)29-21(28-18)30-22(33)32-12-11-31(14-15(32)2)20-17(23(24,25)26)7-5-10-27-20/h5,7-10,13,15H,3-4,6,11-12,14H2,1-2H3,(H2,28,29,30,33)/t15-/m1/s1
InChIKeyHUWJLFNURPDEPE-OAHLLOKOSA-N
MW460.50 g/mol
LogP5.06
Rot. Bonds5

About (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide

(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 70343124) has the molecular formula C23H27F3N6O and a molecular weight of 460.50 g/mol. Its IUPAC name is (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
PubChem CID70343124
Molecular FormulaC23H27F3N6O
Molecular Weight460.50 g/mol
Exact Mass460.22
IUPAC Name(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
SMILESCCCCc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)[nH]c2c1
InChIInChI=1S/C23H27F3N6O/c1-3-4-6-16-8-9-18-19(13-16)29-21(28-18)30-22(33)32-12-11-31(14-15(32)2)20-17(23(24,25)26)7-5-10-27-20/h5,7-10,13,15H,3-4,6,11-12,14H2,1-2H3,(H2,28,29,30,33)/t15-/m1/s1
InChIKeyHUWJLFNURPDEPE-OAHLLOKOSA-N
XLogP5.06
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide (CID 70343124) is (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is CCCCc1ccc2nc(NC(=O)N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)[nH]c2c1.
What is the InChIKey of (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is HUWJLFNURPDEPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H27F3N6O/c1-3-4-6-16-8-9-18-19(13-16)29-21(28-18)30-22(33)32-12-11-31(14-15(32)2)20-17(23(24,25)26)7-5-10-27-20/h5,7-10,13,15H,3-4,6,11-12,14H2,1-2H3,(H2,28,29,30,33)/t15-/m1/s1.
What are the key properties of (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide?
(2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 460.50 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(6-butyl-1H-benzimidazol-2-yl)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 70343124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).