N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C23H25N5S — CID 53319240

IUPACN-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H25N5S/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27)
InChIKeyRDECLHUZVIIRRM-UHFFFAOYSA-N
MW403.56 g/mol
LogP4.56
Rot. Bonds6

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

N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 53319240) has the molecular formula C23H25N5S and a molecular weight of 403.56 g/mol. Its IUPAC name is N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID53319240
Molecular FormulaC23H25N5S
Molecular Weight403.56 g/mol
Exact Mass403.18
IUPAC NameN-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H25N5S/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27)
InChIKeyRDECLHUZVIIRRM-UHFFFAOYSA-N
XLogP4.56
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.56
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 53319240) is N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1sccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is RDECLHUZVIIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5S/c24-13-21-17(10-12-29-21)14-28(15-22-26-18-7-1-2-8-19(18)27-22)20-9-3-5-16-6-4-11-25-23(16)20/h1-2,4,6-8,10-12,20H,3,5,9,13-15,24H2,(H,26,27).
What are the key properties of N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 403.56 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)thiophen-3-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 53319240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).