1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)

C15H21N4Rb — CID 58665101

IUPAC1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)
SMILESCCn1c(NC2CCN(C)CC2)nc2[c-]cccc21.[Rb+]
InChIInChI=1S/C15H21N4.Rb/c1-3-19-14-7-5-4-6-13(14)17-15(19)16-12-8-10-18(2)11-9-12;/h4-5,7,12H,3,8-11H2,1-2H3,(H,16,17);/q-1;+1
InChIKeyNOMGJVOVHBYYKD-UHFFFAOYSA-N
MW342.83 g/mol
LogP-0.63
Rot. Bonds3

About 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)

1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+) (PubChem CID 58665101) has the molecular formula C15H21N4Rb and a molecular weight of 342.83 g/mol. Its IUPAC name is 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+).

Molecular Properties

Compound Name1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)
PubChem CID58665101
Molecular FormulaC15H21N4Rb
Molecular Weight342.83 g/mol
Exact Mass342.09
IUPAC Name1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)
SMILESCCn1c(NC2CCN(C)CC2)nc2[c-]cccc21.[Rb+]
InChIInChI=1S/C15H21N4.Rb/c1-3-19-14-7-5-4-6-13(14)17-15(19)16-12-8-10-18(2)11-9-12;/h4-5,7,12H,3,8-11H2,1-2H3,(H,16,17);/q-1;+1
InChIKeyNOMGJVOVHBYYKD-UHFFFAOYSA-N
XLogP-0.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-ethyl-2-[(1-methylpiperidin-4-yl)amino]benzimidazol-5-yl]methanol
CID 143063195
6-(chloromethyl)-1-ethyl-N-(1-methylpiperidin-4-yl)benzimidazol-2-amine
CID 143063201
1-[(4-chlorophenyl)methyl]-N-(1-methylazepan-4-yl)benzimidazol-2-amine
CID 15037387
5-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methyl]furan-3-carboxylic acid
CID 67885256
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
but-2-enedioic acid;2-[[2-[(1-methylpiperidin-4-yl)amino]benzimidazol-1-yl]methoxy]ethanol
CID 159801214
4-benzyl-N-(1-methylpiperidin-4-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 63261612
4-chloro-N-(1-methylpiperidin-4-yl)pyridin-3-amine
CID 83166896
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
2-N-(1-methylpiperidin-4-yl)pyridine-2,3-diamine
CID 21050456
1-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]piperidin-4-amine
CID 28712904
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)?
The IUPAC name of 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+) (CID 58665101) is 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+).
What is the SMILES notation for 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)?
The canonical SMILES for 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+) is CCn1c(NC2CCN(C)CC2)nc2[c-]cccc21.[Rb+].
What is the InChIKey of 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)?
The InChIKey is NOMGJVOVHBYYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N4.Rb/c1-3-19-14-7-5-4-6-13(14)17-15(19)16-12-8-10-18(2)11-9-12;/h4-5,7,12H,3,8-11H2,1-2H3,(H,16,17);/q-1;+1.
What are the key properties of 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+)?
1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+) has a molecular weight of 342.83 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1-methylpiperidin-4-yl)-4H-benzimidazol-4-id-2-amine;rubidium(1+) is sourced from PubChem (CID 58665101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).