N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

C26H29N5O — CID 53320374

IUPACN-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1
InChIInChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30)
InChIKeyHJJHPNDUMFXUSH-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.51
Rot. Bonds7

About N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 53320374) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID53320374
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCOc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1
InChIInChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30)
InChIKeyHJJHPNDUMFXUSH-UHFFFAOYSA-N
XLogP4.51
TPSA80.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 53320374) is N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is COc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc32)c(CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is HJJHPNDUMFXUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-32-21-12-11-19(20(14-21)15-27)16-31(17-25-29-22-8-2-3-9-23(22)30-25)24-10-4-6-18-7-5-13-28-26(18)24/h2-3,5,7-9,11-14,24H,4,6,10,15-17,27H2,1H3,(H,29,30).
What are the key properties of N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine?
N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 427.55 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-4-methoxyphenyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 53320374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).