(8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C25H33N5 — CID 11538665

IUPAC(8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCC[C@@H](Cn2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)C1
InChIInChI=1S/C25H33N5/c1-28-15-7-8-19(16-28)17-30-22-12-4-3-11-21(22)27-24(30)18-29(2)23-13-5-9-20-10-6-14-26-25(20)23/h3-4,6,10-12,14,19,23H,5,7-9,13,15-18H2,1-2H3/t19-,23-/m1/s1
InChIKeyVETGEHMWKIZMPG-AUSIDOKSSA-N
MW403.57 g/mol
LogP4.28
Rot. Bonds5

About (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

(8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11538665) has the molecular formula C25H33N5 and a molecular weight of 403.57 g/mol. Its IUPAC name is (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name(8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11538665
Molecular FormulaC25H33N5
Molecular Weight403.57 g/mol
Exact Mass403.27
IUPAC Name(8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCC[C@@H](Cn2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)C1
InChIInChI=1S/C25H33N5/c1-28-15-7-8-19(16-28)17-30-22-12-4-3-11-21(22)27-24(30)18-29(2)23-13-5-9-20-10-6-14-26-25(20)23/h3-4,6,10-12,14,19,23H,5,7-9,13,15-18H2,1-2H3/t19-,23-/m1/s1
InChIKeyVETGEHMWKIZMPG-AUSIDOKSSA-N
XLogP4.28
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.57
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11538665) is (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCC[C@@H](Cn2c(CN(C)[C@@H]3CCCc4cccnc43)nc3ccccc32)C1.
What is the InChIKey of (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is VETGEHMWKIZMPG-AUSIDOKSSA-N. The full InChI is InChI=1S/C25H33N5/c1-28-15-7-8-19(16-28)17-30-22-12-4-3-11-21(22)27-24(30)18-29(2)23-13-5-9-20-10-6-14-26-25(20)23/h3-4,6,10-12,14,19,23H,5,7-9,13,15-18H2,1-2H3/t19-,23-/m1/s1.
What are the key properties of (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
(8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 403.57 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-methyl-N-[[1-[[(3R)-1-methylpiperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11538665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).