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

C26H35N5 — CID 11676065

IUPACN-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCCCC1CCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
InChIInChI=1S/C26H35N5/c1-29-17-6-5-11-21(29)15-18-31-23-13-4-3-12-22(23)28-25(31)19-30(2)24-14-7-9-20-10-8-16-27-26(20)24/h3-4,8,10,12-13,16,21,24H,5-7,9,11,14-15,17-19H2,1-2H3
InChIKeySAIRRLKOMQEJAC-UHFFFAOYSA-N
MW417.60 g/mol
LogP4.82
Rot. Bonds6

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

N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11676065) has the molecular formula C26H35N5 and a molecular weight of 417.60 g/mol. Its IUPAC name is N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11676065
Molecular FormulaC26H35N5
Molecular Weight417.60 g/mol
Exact Mass417.29
IUPAC NameN-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCCCC1CCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
InChIInChI=1S/C26H35N5/c1-29-17-6-5-11-21(29)15-18-31-23-13-4-3-12-22(23)28-25(31)19-30(2)24-14-7-9-20-10-8-16-27-26(20)24/h3-4,8,10,12-13,16,21,24H,5-7,9,11,14-15,17-19H2,1-2H3
InChIKeySAIRRLKOMQEJAC-UHFFFAOYSA-N
XLogP4.82
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11676065) is N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCCCC1CCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21.
What is the InChIKey of N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is SAIRRLKOMQEJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5/c1-29-17-6-5-11-21(29)15-18-31-23-13-4-3-12-22(23)28-25(31)19-30(2)24-14-7-9-20-10-8-16-27-26(20)24/h3-4,8,10,12-13,16,21,24H,5-7,9,11,14-15,17-19H2,1-2H3.
What are the key properties of N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 417.60 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11676065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).