N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine

C26H35N5 — CID 140525997

IUPACN-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(Cc1nc2ccccc2n1C[C@H]1CCCNC1)C1CCCc2cccnc21
InChIInChI=1S/C26H35N5/c1-2-16-30(24-13-5-9-21-10-7-15-28-26(21)24)19-25-29-22-11-3-4-12-23(22)31(25)18-20-8-6-14-27-17-20/h3-4,7,10-12,15,20,24,27H,2,5-6,8-9,13-14,16-19H2,1H3/t20-,24?/m0/s1
InChIKeyZWZFOQSDJBUOQD-QHELBMECSA-N
MW417.60 g/mol
LogP4.72
Rot. Bonds7

About N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine

N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 140525997) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID140525997
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC NameN-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCCCN(Cc1nc2ccccc2n1C[C@H]1CCCNC1)C1CCCc2cccnc21
InChIInChI=1S/C26H35N5/c1-2-16-30(24-13-5-9-21-10-7-15-28-26(21)24)19-25-29-22-11-3-4-12-23(22)31(25)18-20-8-6-14-27-17-20/h3-4,7,10-12,15,20,24,27H,2,5-6,8-9,13-14,16-19H2,1H3/t20-,24?/m0/s1
InChIKeyZWZFOQSDJBUOQD-QHELBMECSA-N
XLogP4.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(8S)-N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 69248604
N-(2-methylpropyl)-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525976
N-(piperidin-3-ylmethyl)-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 120853583
N,N-dimethyl-1-[1-(piperidin-3-ylmethyl)benzimidazol-2-yl]methanamine
CID 82311900
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
2-ethyl-1-(piperidin-3-ylmethyl)benzimidazole
CID 63106528
N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
(8S)-2-methyl-N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 91447724
N-methyl-N-[[1-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525963
(3R)-1-tert-butyl-3-[[2-[[2-[tert-butyl(dimethyl)silyl]oxyethyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-ium-1-carboxylic acid
CID 68868597
(8S)-N-methyl-N-(piperidin-3-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 149338189
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11661361

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 140525997) is N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is CCCN(Cc1nc2ccccc2n1C[C@H]1CCCNC1)C1CCCc2cccnc21.
What is the InChIKey of N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is ZWZFOQSDJBUOQD-QHELBMECSA-N. The full InChI is InChI=1S/C26H35N5/c1-2-16-30(24-13-5-9-21-10-7-15-28-26(21)24)19-25-29-22-11-3-4-12-23(22)31(25)18-20-8-6-14-27-17-20/h3-4,7,10-12,15,20,24,27H,2,5-6,8-9,13-14,16-19H2,1H3/t20-,24?/m0/s1.
What are the key properties of N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 417.60 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[(3S)-piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-N-propyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 140525997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).