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

C23H30N6 — CID 11545596

IUPACN-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(CN3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H30N6/c1-28(20-9-3-5-17-7-4-10-25-23(17)20)16-21-26-19-8-2-6-18(22(19)27-21)15-29-13-11-24-12-14-29/h2,4,6-8,10,20,24H,3,5,9,11-16H2,1H3,(H,26,27)
InChIKeyHOTFDACOUFWRFX-UHFFFAOYSA-N
MW390.54 g/mol
LogP2.87
Rot. Bonds5

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

N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11545596) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11545596
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC NameN-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(CN3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H30N6/c1-28(20-9-3-5-17-7-4-10-25-23(17)20)16-21-26-19-8-2-6-18(22(19)27-21)15-29-13-11-24-12-14-29/h2,4,6-8,10,20,24H,3,5,9,11-16H2,1H3,(H,26,27)
InChIKeyHOTFDACOUFWRFX-UHFFFAOYSA-N
XLogP2.87
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-methyl-N-[[4-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11524227
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11545594
N-methyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-amine
CID 11560480
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
2-amino-N-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]acetamide
CID 59665976
tert-butyl 4-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]piperazine-1-carboxylate
CID 45484548
2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-N-(3-morpholin-4-ylpropyl)-1H-benzimidazole-4-carboxamide
CID 11554442
[2-methyl-1-[[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 69229740
(8S)-N-ethyl-N-[[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11675794
N-(1H-benzimidazol-2-ylmethyl)-2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazole-4-carboxamide
CID 11634094
(8S)-N-methyl-N-[(5-piperazin-1-ylimidazo[1,2-c]pyrimidin-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 129250220
N'-[(4-methyl-1H-benzimidazol-2-yl)methyl]-N'-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine
CID 59694139

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11545596) is N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nc2c(CN3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is HOTFDACOUFWRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6/c1-28(20-9-3-5-17-7-4-10-25-23(17)20)16-21-26-19-8-2-6-18(22(19)27-21)15-29-13-11-24-12-14-29/h2,4,6-8,10,20,24H,3,5,9,11-16H2,1H3,(H,26,27).
What are the key properties of N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 390.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11545596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).