2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine

C26H37N5 — CID 91461003

IUPAC2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)CCNC1CCCc2ccc(Cc3nc4ccccc4n3CCCCN)nc21
InChIInChI=1S/C26H37N5/c1-19(2)14-16-28-23-10-7-8-20-12-13-21(29-26(20)23)18-25-30-22-9-3-4-11-24(22)31(25)17-6-5-15-27/h3-4,9,11-13,19,23,28H,5-8,10,14-18,27H2,1-2H3
InChIKeyQZMWIUDEZKERBY-UHFFFAOYSA-N
MW419.62 g/mol
LogP4.77
Rot. Bonds10

About 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine

2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 91461003) has the molecular formula C26H37N5 and a molecular weight of 419.62 g/mol. Its IUPAC name is 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID91461003
Molecular FormulaC26H37N5
Molecular Weight419.62 g/mol
Exact Mass419.30
IUPAC Name2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCC(C)CCNC1CCCc2ccc(Cc3nc4ccccc4n3CCCCN)nc21
InChIInChI=1S/C26H37N5/c1-19(2)14-16-28-23-10-7-8-20-12-13-21(29-26(20)23)18-25-30-22-9-3-4-11-24(22)31(25)17-6-5-15-27/h3-4,9,11-13,19,23,28H,5-8,10,14-18,27H2,1-2H3
InChIKeyQZMWIUDEZKERBY-UHFFFAOYSA-N
XLogP4.77
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.62
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

2-[[1-(azetidin-3-ylmethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 91576148
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 68868683
4-[2-[[(4aR,10bS)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]benzimidazol-1-yl]butan-1-amine
CID 11856257
5-[2-[[(4aS,10bR)-3,4,4a,5,6,10b-hexahydro-2H-1,10-phenanthrolin-1-yl]methyl]benzimidazol-1-yl]pentan-1-amine
CID 86629229
N'-(5,6,7,8-tetrahydroquinolin-8-yl)-N-[[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]methyl]butane-1,4-diamine
CID 69316057
4-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]butan-1-amine
CID 82144723
(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91447724
2,2,2-trifluoro-N-[3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]acetamide
CID 45484535
N-[3-(2-ethylbenzimidazol-1-yl)propyl]cyclopropanamine
CID 63106717
3-methyl-N-[(1-propylbenzimidazol-2-yl)methyl]butan-1-amine
CID 54906185
4-(2-tert-butylbenzimidazol-1-yl)butan-1-amine
CID 82144558

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 91461003) is 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine is CC(C)CCNC1CCCc2ccc(Cc3nc4ccccc4n3CCCCN)nc21.
What is the InChIKey of 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is QZMWIUDEZKERBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5/c1-19(2)14-16-28-23-10-7-8-20-12-13-21(29-26(20)23)18-25-30-22-9-3-4-11-24(22)31(25)17-6-5-15-27/h3-4,9,11-13,19,23,28H,5-8,10,14-18,27H2,1-2H3.
What are the key properties of 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine?
2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 419.62 g/mol, XLogP of 4.77, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-aminobutyl)benzimidazol-2-yl]methyl]-N-(3-methylbutyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 91461003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).