N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C27H31N5 — CID 143187001

IUPACN-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCNCc1ccccc1Cn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
InChIInChI=1S/C27H31N5/c1-28-17-21-9-3-4-10-22(21)18-32-24-14-6-5-13-23(24)30-26(32)19-31(2)25-15-7-11-20-12-8-16-29-27(20)25/h3-6,8-10,12-14,16,25,28H,7,11,15,17-19H2,1-2H3
InChIKeyDEGQJMOOOQIVMP-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.71
Rot. Bonds7

About N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 143187001) has the molecular formula C27H31N5 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID143187001
Molecular FormulaC27H31N5
Molecular Weight425.58 g/mol
Exact Mass425.26
IUPAC NameN-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCNCc1ccccc1Cn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
InChIInChI=1S/C27H31N5/c1-28-17-21-9-3-4-10-22(21)18-32-24-14-6-5-13-23(24)30-26(32)19-31(2)25-15-7-11-20-12-8-16-29-27(20)25/h3-6,8-10,12-14,16,25,28H,7,11,15,17-19H2,1-2H3
InChIKeyDEGQJMOOOQIVMP-UHFFFAOYSA-N
XLogP4.71
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine with MolForge

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Related Compounds

N-[[1-[2-(dimethylamino)ethyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 71106334
2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]acetic acid
CID 68868531
N-methyl-N-[[1-(2-piperidin-1-ylethyl)benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 11661361
N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11617982
N-[[1-(5-aminopentyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 45484547
N-[[1-[4-(dimethylamino)but-2-enyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 69249245
N-[[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11668169
N-methyl-N-[[1-[[(3S)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525984
N-methyl-N-[[1-[3-[methyl(pyridin-2-yl)amino]propyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 20846069
2,2,2-trifluoro-N-[3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]acetamide
CID 45484535
N-methyl-N-[[1-[[(3S)-1-(2-methylpropyl)piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 140525963
tert-butyl-[N-tert-butyl-N'-carboxy-N-[2,2-dimethyl-3-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]propyl]carbamimidoyl]carbamic acid
CID 68868567

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 143187001) is N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CNCc1ccccc1Cn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is DEGQJMOOOQIVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5/c1-28-17-21-9-3-4-10-22(21)18-32-24-14-6-5-13-23(24)30-26(32)19-31(2)25-15-7-11-20-12-8-16-29-27(20)25/h3-6,8-10,12-14,16,25,28H,7,11,15,17-19H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 425.58 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[[2-(methylaminomethyl)phenyl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 143187001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).