2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol

C26H35N5O — CID 11597237

IUPAC2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1nc2ccccc2n1C[C@H]1CCCN(CCO)C1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C26H35N5O/c1-29(24-12-4-8-21-9-5-13-27-26(21)24)19-25-28-22-10-2-3-11-23(22)31(25)18-20-7-6-14-30(17-20)15-16-32/h2-3,5,9-11,13,20,24,32H,4,6-8,12,14-19H2,1H3/t20-,24-/m0/s1
InChIKeyOGKYHMHLZSDZND-RDPSFJRHSA-N
MW433.60 g/mol
LogP3.64
Rot. Bonds7

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

2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol (PubChem CID 11597237) has the molecular formula C26H35N5O and a molecular weight of 433.60 g/mol. Its IUPAC name is 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol
PubChem CID11597237
Molecular FormulaC26H35N5O
Molecular Weight433.60 g/mol
Exact Mass433.28
IUPAC Name2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol
SMILESCN(Cc1nc2ccccc2n1C[C@H]1CCCN(CCO)C1)[C@H]1CCCc2cccnc21
InChIInChI=1S/C26H35N5O/c1-29(24-12-4-8-21-9-5-13-27-26(21)24)19-25-28-22-10-2-3-11-23(22)31(25)18-20-7-6-14-30(17-20)15-16-32/h2-3,5,9-11,13,20,24,32H,4,6-8,12,14-19H2,1H3/t20-,24-/m0/s1
InChIKeyOGKYHMHLZSDZND-RDPSFJRHSA-N
XLogP3.64
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol (CID 11597237) is 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol is CN(Cc1nc2ccccc2n1C[C@H]1CCCN(CCO)C1)[C@H]1CCCc2cccnc21.
What is the InChIKey of 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
The InChIKey is OGKYHMHLZSDZND-RDPSFJRHSA-N. The full InChI is InChI=1S/C26H35N5O/c1-29(24-12-4-8-21-9-5-13-27-26(21)24)19-25-28-22-10-2-3-11-23(22)31(25)18-20-7-6-14-30(17-20)15-16-32/h2-3,5,9-11,13,20,24,32H,4,6-8,12,14-19H2,1H3/t20-,24-/m0/s1.
What are the key properties of 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol?
2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol has a molecular weight of 433.60 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[[2-[[methyl-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]amino]methyl]benzimidazol-1-yl]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 11597237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).