bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane

C55H76Cl4N8Ni2 — CID 158515272

IUPACbis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane
SMILESC.CCCCC(c1nc2ccccc2n1CCCC)c1nc2ccccc2n1CCCC.CCCCC(c1nc2ccccc2n1CCCC)c1nc2ccccc2n1CCCC.Cl[Ni]Cl.Cl[Ni]Cl
InChIInChI=1S/2C27H36N4.CH4.4ClH.2Ni/c2*1-4-7-14-21(26-28-22-15-10-12-17-24(22)30(26)19-8-5-2)27-29-23-16-11-13-18-25(23)31(27)20-9-6-3;;;;;;;/h2*10-13,15-18,21H,4-9,14,19-20H2,1-3H3;1H4;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyHLNZMGWKJCPCIJ-UHFFFAOYSA-J
MW1108.47 g/mol
LogP18.01
Rot. Bonds22

About bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane

bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane (PubChem CID 158515272) has the molecular formula C55H76Cl4N8Ni2 and a molecular weight of 1108.47 g/mol. Its IUPAC name is bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane.

Molecular Properties

Compound Namebis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane
PubChem CID158515272
Molecular FormulaC55H76Cl4N8Ni2
Molecular Weight1108.47 g/mol
Exact Mass1104.37
IUPAC Namebis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane
SMILESC.CCCCC(c1nc2ccccc2n1CCCC)c1nc2ccccc2n1CCCC.CCCCC(c1nc2ccccc2n1CCCC)c1nc2ccccc2n1CCCC.Cl[Ni]Cl.Cl[Ni]Cl
InChIInChI=1S/2C27H36N4.CH4.4ClH.2Ni/c2*1-4-7-14-21(26-28-22-15-10-12-17-24(22)30(26)19-8-5-2)27-29-23-16-11-13-18-25(23)31(27)20-9-6-3;;;;;;;/h2*10-13,15-18,21H,4-9,14,19-20H2,1-3H3;1H4;4*1H;;/q;;;;;;;2*+2/p-4
InChIKeyHLNZMGWKJCPCIJ-UHFFFAOYSA-J
XLogP18.01
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001108.47
LogP ≤ 518.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 43470293
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-2-[phenyl(phenylsulfanyl)methyl]benzimidazole
CID 18878314
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
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CID 92735667
4,4-bis(1-ethylbenzimidazol-2-yl)butane-1-sulfonate
CID 102313711
2-[1-(azepan-1-yl)ethyl]-1-butylbenzimidazole
CID 18885259
N-[(1S)-1-(1-pentylbenzimidazol-2-yl)pentyl]acetamide
CID 6998468
2-(1-phenoxypropyl)-1-undecylbenzimidazole
CID 18877986
1-butyl-2-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]benzimidazole
CID 7011097

Frequently Asked Questions

What is the IUPAC name of bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane?
The IUPAC name of bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane (CID 158515272) is bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane.
What is the SMILES notation for bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane?
The canonical SMILES for bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane is C.CCCCC(c1nc2ccccc2n1CCCC)c1nc2ccccc2n1CCCC.CCCCC(c1nc2ccccc2n1CCCC)c1nc2ccccc2n1CCCC.Cl[Ni]Cl.Cl[Ni]Cl.
What is the InChIKey of bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane?
The InChIKey is HLNZMGWKJCPCIJ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C27H36N4.CH4.4ClH.2Ni/c2*1-4-7-14-21(26-28-22-15-10-12-17-24(22)30(26)19-8-5-2)27-29-23-16-11-13-18-25(23)31(27)20-9-6-3;;;;;;;/h2*10-13,15-18,21H,4-9,14,19-20H2,1-3H3;1H4;4*1H;;/q;;;;;;;2*+2/p-4.
What are the key properties of bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane?
bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane has a molecular weight of 1108.47 g/mol, XLogP of 18.01, 22 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butyl-2-[1-(1-butylbenzimidazol-2-yl)pentyl]benzimidazole);bis(dichloronickel);methane is sourced from PubChem (CID 158515272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).