molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole

C26H38N6 — CID 158153397

IUPACmolecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCc1cc2[nH]c(CN3CCN(Cc4nc5c(C)c(C)c(C)cc5[nH]4)CC3)nc2c(C)c1C.[H][H].[H][H]
InChIInChI=1S/C26H34N6.2H2/c1-15-11-21-25(19(5)17(15)3)29-23(27-21)13-31-7-9-32(10-8-31)14-24-28-22-12-16(2)18(4)20(6)26(22)30-24;;/h11-12H,7-10,13-14H2,1-6H3,(H,27,29)(H,28,30);2*1H
InChIKeyFVJWFZOTGCWEQT-UHFFFAOYSA-N
MW434.63 g/mol
LogP5.10
Rot. Bonds4

About molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole

molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole (PubChem CID 158153397) has the molecular formula C26H38N6 and a molecular weight of 434.63 g/mol. Its IUPAC name is molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole.

Molecular Properties

Compound Namemolecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole
PubChem CID158153397
Molecular FormulaC26H38N6
Molecular Weight434.63 g/mol
Exact Mass434.32
IUPAC Namemolecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole
SMILESCc1cc2[nH]c(CN3CCN(Cc4nc5c(C)c(C)c(C)cc5[nH]4)CC3)nc2c(C)c1C.[H][H].[H][H]
InChIInChI=1S/C26H34N6.2H2/c1-15-11-21-25(19(5)17(15)3)29-23(27-21)13-31-7-9-32(10-8-31)14-24-28-22-12-16(2)18(4)20(6)26(22)30-24;;/h11-12H,7-10,13-14H2,1-6H3,(H,27,29)(H,28,30);2*1H
InChIKeyFVJWFZOTGCWEQT-UHFFFAOYSA-N
XLogP5.10
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The IUPAC name of molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole (CID 158153397) is molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole.
What is the SMILES notation for molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The canonical SMILES for molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole is Cc1cc2[nH]c(CN3CCN(Cc4nc5c(C)c(C)c(C)cc5[nH]4)CC3)nc2c(C)c1C.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole?
The InChIKey is FVJWFZOTGCWEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6.2H2/c1-15-11-21-25(19(5)17(15)3)29-23(27-21)13-31-7-9-32(10-8-31)14-24-28-22-12-16(2)18(4)20(6)26(22)30-24;;/h11-12H,7-10,13-14H2,1-6H3,(H,27,29)(H,28,30);2*1H.
What are the key properties of molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole?
molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole has a molecular weight of 434.63 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;4,5,6-trimethyl-2-[[4-[(4,5,6-trimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1H-benzimidazole is sourced from PubChem (CID 158153397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).