[6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone

C32H38F3N7O2 — CID 162575826

About [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone

[6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone (PubChem CID 162575826) has the molecular formula C32H38F3N7O2 and a molecular weight of 609.70 g/mol. Its IUPAC name is [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone
• PubChem CID: 162575826
• Molecular Formula: C32H38F3N7O2
• Molecular Weight: 609.70 g/mol
• Exact Mass: 609.30
• IUPAC Name: [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone
• SMILES: COc1cnc(CN2CCC(c3ccc4nc(C(=O)N5CCN(CC6=CC=C(C(F)(F)F)CC6C)CC5)[nH]c4c3)CC2)cn1
• InChI: InChI=1S/C32H38F3N7O2/c1-21-15-25(32(33,34)35)5-3-24(21)19-41-11-13-42(14-12-41)31(43)30-38-27-6-4-23(16-28(27)39-30)22-7-9-40(10-8-22)20-26-17-37-29(44-2)18-36-26/h3-6,16-18,21-22H,7-15,19-20H2,1-2H3,(H,38,39)
• InChIKey: SIEYRZNNQBBUHM-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 90.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.70
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone?

The IUPAC name of [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone (CID 162575826) is [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone.

What is the SMILES notation for [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone?

The canonical SMILES for [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone is COc1cnc(CN2CCC(c3ccc4nc(C(=O)N5CCN(CC6=CC=C(C(F)(F)F)CC6C)CC5)[nH]c4c3)CC2)cn1.

What is the InChIKey of [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone?

The InChIKey is SIEYRZNNQBBUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F3N7O2/c1-21-15-25(32(33,34)35)5-3-24(21)19-41-11-13-42(14-12-41)31(43)30-38-27-6-4-23(16-28(27)39-30)22-7-9-40(10-8-22)20-26-17-37-29(44-2)18-36-26/h3-6,16-18,21-22H,7-15,19-20H2,1-2H3,(H,38,39).

What are the key properties of [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone?

[6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 609.70 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[1-[(5-methoxypyrazin-2-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-yl]-[4-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 162575826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).