1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine

C26H38N6O — CID 59127204

IUPAC1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine
SMILESCC1CCCCN1CCCn1c(N)nc2ccc(OCCCN(C)Cc3ccccn3)cc21
InChIInChI=1S/C26H38N6O/c1-21-9-4-6-15-31(21)16-7-17-32-25-19-23(11-12-24(25)29-26(32)27)33-18-8-14-30(2)20-22-10-3-5-13-28-22/h3,5,10-13,19,21H,4,6-9,14-18,20H2,1-2H3,(H2,27,29)
InChIKeyTXBRKSIMDJQDMR-UHFFFAOYSA-N
MW450.63 g/mol
LogP4.18
Rot. Bonds11

About 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine

1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine (PubChem CID 59127204) has the molecular formula C26H38N6O and a molecular weight of 450.63 g/mol. Its IUPAC name is 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine.

Molecular Properties

Compound Name1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine
PubChem CID59127204
Molecular FormulaC26H38N6O
Molecular Weight450.63 g/mol
Exact Mass450.31
IUPAC Name1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine
SMILESCC1CCCCN1CCCn1c(N)nc2ccc(OCCCN(C)Cc3ccccn3)cc21
InChIInChI=1S/C26H38N6O/c1-21-9-4-6-15-31(21)16-7-17-32-25-19-23(11-12-24(25)29-26(32)27)33-18-8-14-30(2)20-22-10-3-5-13-28-22/h3,5,10-13,19,21H,4,6-9,14-18,20H2,1-2H3,(H2,27,29)
InChIKeyTXBRKSIMDJQDMR-UHFFFAOYSA-N
XLogP4.18
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.63
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-(pyridin-2-ylmethyl)-3-[3-(3-pyrrolidin-1-ylpropyl)benzimidazol-5-yl]oxypropan-1-amine
CID 68720120
1-(3-cyclopentylpropyl)-6-methoxybenzimidazol-2-amine
CID 106008013
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
2-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]aniline
CID 43564653
2-methyl-7-[3-(2-methylpiperidin-1-yl)propoxy]-3,4-dihydroisoquinolin-1-one
CID 155528188
methane;2-methyl-1-(5-phenoxypentyl)piperidine
CID 158922703
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
2-[3-(aminomethyl)phenoxy]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 43564723
N-methyl-3-[(2-methylpropan-2-yl)oxy]-N-(pyridin-2-ylmethyl)propan-1-amine
CID 59334325
2-methyl-1-[3-(2-methylpiperidin-1-yl)propyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111371319
6-chloro-1-(3-phenoxypropyl)benzimidazol-2-amine
CID 115470592

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine?
The IUPAC name of 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine (CID 59127204) is 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine.
What is the SMILES notation for 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine?
The canonical SMILES for 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine is CC1CCCCN1CCCn1c(N)nc2ccc(OCCCN(C)Cc3ccccn3)cc21.
What is the InChIKey of 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine?
The InChIKey is TXBRKSIMDJQDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O/c1-21-9-4-6-15-31(21)16-7-17-32-25-19-23(11-12-24(25)29-26(32)27)33-18-8-14-30(2)20-22-10-3-5-13-28-22/h3,5,10-13,19,21H,4,6-9,14-18,20H2,1-2H3,(H2,27,29).
What are the key properties of 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine?
1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine has a molecular weight of 450.63 g/mol, XLogP of 4.18, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpiperidin-1-yl)propyl]-6-[3-[methyl(pyridin-2-ylmethyl)amino]propoxy]benzimidazol-2-amine is sourced from PubChem (CID 59127204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).