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

C24H20F6N6O — CID 11534687

IUPAC4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cn1
InChIInChI=1S/C24H20F6N6O/c1-37-19-5-4-14(13-32-19)16-11-15(23(25,26)27)12-18-20(16)34-22(33-18)36-9-7-35(8-10-36)21-17(24(28,29)30)3-2-6-31-21/h2-6,11-13H,7-10H2,1H3,(H,33,34)
InChIKeyJSUBNRPLTMRUTD-UHFFFAOYSA-N
MW522.45 g/mol
LogP5.39
Rot. Bonds4

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

4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (PubChem CID 11534687) has the molecular formula C24H20F6N6O and a molecular weight of 522.45 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
PubChem CID11534687
Molecular FormulaC24H20F6N6O
Molecular Weight522.45 g/mol
Exact Mass522.16
IUPAC Name4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cn1
InChIInChI=1S/C24H20F6N6O/c1-37-19-5-4-14(13-32-19)16-11-15(23(25,26)27)12-18-20(16)34-22(33-18)36-9-7-35(8-10-36)21-17(24(28,29)30)3-2-6-31-21/h2-6,11-13H,7-10H2,1H3,(H,33,34)
InChIKeyJSUBNRPLTMRUTD-UHFFFAOYSA-N
XLogP5.39
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.45
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 5329405
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CID 11512668
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CID 45487323
CID 45487323
CID 45487347
CID 45487347
CID 45487354
CID 45487354
CID 45487360
CID 45487360
CID 45487361
CID 45487361
CID 118057675
CID 118057675
CID 118057812
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CID 138319775
CID 138319775

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole (CID 11534687) is 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is COc1ccc(-c2cc(C(F)(F)F)cc3[nH]c(N4CCN(c5ncccc5C(F)(F)F)CC4)nc23)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
The InChIKey is JSUBNRPLTMRUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6N6O/c1-37-19-5-4-14(13-32-19)16-11-15(23(25,26)27)12-18-20(16)34-22(33-18)36-9-7-35(8-10-36)21-17(24(28,29)30)3-2-6-31-21/h2-6,11-13H,7-10H2,1H3,(H,33,34).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole?
4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole has a molecular weight of 522.45 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-1H-benzimidazole is sourced from PubChem (CID 11534687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).