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

C23H25N5O — CID 53323181

IUPACN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)o1
InChIInChI=1S/C23H25N5O/c24-13-17-10-11-18(29-17)14-28(15-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-12-25-23(16)21/h1-2,4,6-8,10-12,21H,3,5,9,13-15,24H2,(H,26,27)
InChIKeyJIIUPPGUEJSBII-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.09
Rot. Bonds6

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

N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 53323181) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID53323181
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESNCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)o1
InChIInChI=1S/C23H25N5O/c24-13-17-10-11-18(29-17)14-28(15-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-12-25-23(16)21/h1-2,4,6-8,10-12,21H,3,5,9,13-15,24H2,(H,26,27)
InChIKeyJIIUPPGUEJSBII-UHFFFAOYSA-N
XLogP4.09
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 53323181) is N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)o1.
What is the InChIKey of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is JIIUPPGUEJSBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c24-13-17-10-11-18(29-17)14-28(15-22-26-19-7-1-2-8-20(19)27-22)21-9-3-5-16-6-4-12-25-23(16)21/h1-2,4,6-8,10-12,21H,3,5,9,13-15,24H2,(H,26,27).
What are the key properties of N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 387.49 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)furan-2-yl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 53323181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).