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

C23H29N5 — CID 11545285

IUPACN-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CC(Cn2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)C1
InChIInChI=1S/C23H29N5/c1-26-13-17(14-26)15-28-20-10-4-3-9-19(20)25-22(28)16-27(2)21-11-5-7-18-8-6-12-24-23(18)21/h3-4,6,8-10,12,17,21H,5,7,11,13-16H2,1-2H3
InChIKeyIBMXMPNDZLRVME-UHFFFAOYSA-N
MW375.52 g/mol
LogP3.50
Rot. Bonds5

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

N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11545285) has the molecular formula C23H29N5 and a molecular weight of 375.52 g/mol. Its IUPAC name is N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11545285
Molecular FormulaC23H29N5
Molecular Weight375.52 g/mol
Exact Mass375.24
IUPAC NameN-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CC(Cn2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)C1
InChIInChI=1S/C23H29N5/c1-26-13-17(14-26)15-28-20-10-4-3-9-19(20)25-22(28)16-27(2)21-11-5-7-18-8-6-12-24-23(18)21/h3-4,6,8-10,12,17,21H,5,7,11,13-16H2,1-2H3
InChIKeyIBMXMPNDZLRVME-UHFFFAOYSA-N
XLogP3.50
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11545285) is N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CC(Cn2c(CN(C)C3CCCc4cccnc43)nc3ccccc32)C1.
What is the InChIKey of N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is IBMXMPNDZLRVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5/c1-26-13-17(14-26)15-28-20-10-4-3-9-19(20)25-22(28)16-27(2)21-11-5-7-18-8-6-12-24-23(18)21/h3-4,6,8-10,12,17,21H,5,7,11,13-16H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 375.52 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[(1-methylazetidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11545285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).