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

C19H16BrF6N5 — CID 10323982

IUPAC4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H16BrF6N5/c1-10-9-30(16-12(19(24,25)26)3-2-4-27-16)5-6-31(10)17-28-14-8-11(18(21,22)23)7-13(20)15(14)29-17/h2-4,7-8,10H,5-6,9H2,1H3,(H,28,29)/t10-/m1/s1
InChIKeyUVOJRYXTFQVSFV-SNVBAGLBSA-N
MW508.26 g/mol
LogP5.47
Rot. Bonds2

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

4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 10323982) has the molecular formula C19H16BrF6N5 and a molecular weight of 508.26 g/mol. Its IUPAC name is 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID10323982
Molecular FormulaC19H16BrF6N5
Molecular Weight508.26 g/mol
Exact Mass507.05
IUPAC Name4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESC[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C19H16BrF6N5/c1-10-9-30(16-12(19(24,25)26)3-2-4-27-16)5-6-31(10)17-28-14-8-11(18(21,22)23)7-13(20)15(14)29-17/h2-4,7-8,10H,5-6,9H2,1H3,(H,28,29)/t10-/m1/s1
InChIKeyUVOJRYXTFQVSFV-SNVBAGLBSA-N
XLogP5.47
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.26
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole 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 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole (CID 10323982) is 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole is C[C@@H]1CN(c2ncccc2C(F)(F)F)CCN1c1nc2c(Br)cc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is UVOJRYXTFQVSFV-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16BrF6N5/c1-10-9-30(16-12(19(24,25)26)3-2-4-27-16)5-6-31(10)17-28-14-8-11(18(21,22)23)7-13(20)15(14)29-17/h2-4,7-8,10H,5-6,9H2,1H3,(H,28,29)/t10-/m1/s1.
What are the key properties of 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole?
4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 508.26 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2R)-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 10323982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).