N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C26H35N5 — CID 11704409

IUPACN-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(CCCN3CCCCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C26H35N5/c1-30(23-14-6-10-21-11-7-15-27-26(21)23)19-24-28-22-13-5-9-20(25(22)29-24)12-8-18-31-16-3-2-4-17-31/h5,7,9,11,13,15,23H,2-4,6,8,10,12,14,16-19H2,1H3,(H,28,29)
InChIKeyMKNFQYOGYHJLFR-UHFFFAOYSA-N
MW417.60 g/mol
LogP4.89
Rot. Bonds7

About N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11704409) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11704409
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC NameN-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(CCCN3CCCCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C26H35N5/c1-30(23-14-6-10-21-11-7-15-27-26(21)23)19-24-28-22-13-5-9-20(25(22)29-24)12-8-18-31-16-3-2-4-17-31/h5,7,9,11,13,15,23H,2-4,6,8,10,12,14,16-19H2,1H3,(H,28,29)
InChIKeyMKNFQYOGYHJLFR-UHFFFAOYSA-N
XLogP4.89
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11704409) is N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nc2c(CCCN3CCCCC3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is MKNFQYOGYHJLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5/c1-30(23-14-6-10-21-11-7-15-27-26(21)23)19-24-28-22-13-5-9-20(25(22)29-24)12-8-18-31-16-3-2-4-17-31/h5,7,9,11,13,15,23H,2-4,6,8,10,12,14,16-19H2,1H3,(H,28,29).
What are the key properties of N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 417.60 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-(3-piperidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11704409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).