N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide

C23H30N6O — CID 11675841

IUPACN-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide
SMILESCNCCN(C)C(=O)c1ccc2nc(CN(C)C3CCCc4cccnc43)[nH]c2c1
InChIInChI=1S/C23H30N6O/c1-24-12-13-28(2)23(30)17-9-10-18-19(14-17)27-21(26-18)15-29(3)20-8-4-6-16-7-5-11-25-22(16)20/h5,7,9-11,14,20,24H,4,6,8,12-13,15H2,1-3H3,(H,26,27)
InChIKeyKKMUCSXJJSSXRO-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.76
Rot. Bonds7

About N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide

N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 11675841) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide
PubChem CID11675841
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC NameN-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide
SMILESCNCCN(C)C(=O)c1ccc2nc(CN(C)C3CCCc4cccnc43)[nH]c2c1
InChIInChI=1S/C23H30N6O/c1-24-12-13-28(2)23(30)17-9-10-18-19(14-17)27-21(26-18)15-29(3)20-8-4-6-16-7-5-11-25-22(16)20/h5,7,9-11,14,20,24H,4,6,8,12-13,15H2,1-3H3,(H,26,27)
InChIKeyKKMUCSXJJSSXRO-UHFFFAOYSA-N
XLogP2.76
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide (CID 11675841) is N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide is CNCCN(C)C(=O)c1ccc2nc(CN(C)C3CCCc4cccnc43)[nH]c2c1.
What is the InChIKey of N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is KKMUCSXJJSSXRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O/c1-24-12-13-28(2)23(30)17-9-10-18-19(14-17)27-21(26-18)15-29(3)20-8-4-6-16-7-5-11-25-22(16)20/h5,7,9-11,14,20,24H,4,6,8,12-13,15H2,1-3H3,(H,26,27).
What are the key properties of N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide?
N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(methylamino)ethyl]-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 11675841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).