N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride

C23H47F4N5 — CID 159780973

IUPACN'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
SMILESC.F.F.F.F.NCCCCCCNCCCCCCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H39N5.CH4.4FH/c23-15-7-1-2-8-16-24-17-9-3-4-10-18-25-19-11-14-22-26-20-12-5-6-13-21(20)27-22;;;;;/h5-6,12-13,24-25H,1-4,7-11,14-19,23H2,(H,26,27);1H4;4*1H
InChIKeyNHIXLEUPFITGQM-UHFFFAOYSA-N
MW469.66 g/mol
LogP5.00
Rot. Bonds17

About N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride

N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride (PubChem CID 159780973) has the molecular formula C23H47F4N5 and a molecular weight of 469.66 g/mol. Its IUPAC name is N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride.

Molecular Properties

Compound NameN'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
PubChem CID159780973
Molecular FormulaC23H47F4N5
Molecular Weight469.66 g/mol
Exact Mass469.38
IUPAC NameN'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
SMILESC.F.F.F.F.NCCCCCCNCCCCCCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H39N5.CH4.4FH/c23-15-7-1-2-8-16-24-17-9-3-4-10-18-25-19-11-14-22-26-20-12-5-6-13-21(20)27-22;;;;;/h5-6,12-13,24-25H,1-4,7-11,14-19,23H2,(H,26,27);1H4;4*1H
InChIKeyNHIXLEUPFITGQM-UHFFFAOYSA-N
XLogP5.00
TPSA78.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.66
LogP ≤ 55.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride with MolForge

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Related Compounds

N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
3-(1H-benzimidazol-2-yl)propyl-trihydroxysilane
CID 70659054

Frequently Asked Questions

What is the IUPAC name of N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride?
The IUPAC name of N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride (CID 159780973) is N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride.
What is the SMILES notation for N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride?
The canonical SMILES for N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride is C.F.F.F.F.NCCCCCCNCCCCCCNCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride?
The InChIKey is NHIXLEUPFITGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5.CH4.4FH/c23-15-7-1-2-8-16-24-17-9-3-4-10-18-25-19-11-14-22-26-20-12-5-6-13-21(20)27-22;;;;;/h5-6,12-13,24-25H,1-4,7-11,14-19,23H2,(H,26,27);1H4;4*1H.
What are the key properties of N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride?
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride has a molecular weight of 469.66 g/mol, XLogP of 5.00, 17 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride is sourced from PubChem (CID 159780973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).