N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine

C23H32N6 — CID 11509406

IUPACN,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1cccc2[nH]c(CN(C)C3CCCc4cccnc43)nc12
InChIInChI=1S/C23H32N6/c1-27(2)14-15-28(3)20-12-6-10-18-23(20)26-21(25-18)16-29(4)19-11-5-8-17-9-7-13-24-22(17)19/h6-7,9-10,12-13,19H,5,8,11,14-16H2,1-4H3,(H,25,26)
InChIKeyITWVSYDHQQETDY-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.47
Rot. Bonds7

About N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine (PubChem CID 11509406) has the molecular formula C23H32N6 and a molecular weight of 392.55 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine
PubChem CID11509406
Molecular FormulaC23H32N6
Molecular Weight392.55 g/mol
Exact Mass392.27
IUPAC NameN,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine
SMILESCN(C)CCN(C)c1cccc2[nH]c(CN(C)C3CCCc4cccnc43)nc12
InChIInChI=1S/C23H32N6/c1-27(2)14-15-28(3)20-12-6-10-18-23(20)26-21(25-18)16-29(4)19-11-5-8-17-9-7-13-24-22(17)19/h6-7,9-10,12-13,19H,5,8,11,14-16H2,1-4H3,(H,25,26)
InChIKeyITWVSYDHQQETDY-UHFFFAOYSA-N
XLogP3.47
TPSA51.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine (CID 11509406) is N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine is CN(C)CCN(C)c1cccc2[nH]c(CN(C)C3CCCc4cccnc43)nc12.
What is the InChIKey of N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine?
The InChIKey is ITWVSYDHQQETDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6/c1-27(2)14-15-28(3)20-12-6-10-18-23(20)26-21(25-18)16-29(4)19-11-5-8-17-9-7-13-24-22(17)19/h6-7,9-10,12-13,19H,5,8,11,14-16H2,1-4H3,(H,25,26).
What are the key properties of N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine has a molecular weight of 392.55 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]ethane-1,2-diamine is sourced from PubChem (CID 11509406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).