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

C24H31N5 — CID 68868683

IUPAC2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCCC(Cn2c(Cc3ccc4c(n3)C(N)CCC4)nc3ccccc32)C1
InChIInChI=1S/C24H31N5/c1-28-13-5-6-17(15-28)16-29-22-10-3-2-9-21(22)27-23(29)14-19-12-11-18-7-4-8-20(25)24(18)26-19/h2-3,9-12,17,20H,4-8,13-16,25H2,1H3
InChIKeyFKDJEFTXPOWHIM-UHFFFAOYSA-N
MW389.55 g/mol
LogP3.70
Rot. Bonds4

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

2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 68868683) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID68868683
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC Name2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN1CCCC(Cn2c(Cc3ccc4c(n3)C(N)CCC4)nc3ccccc32)C1
InChIInChI=1S/C24H31N5/c1-28-13-5-6-17(15-28)16-29-22-10-3-2-9-21(22)27-23(29)14-19-12-11-18-7-4-8-20(25)24(18)26-19/h2-3,9-12,17,20H,4-8,13-16,25H2,1H3
InChIKeyFKDJEFTXPOWHIM-UHFFFAOYSA-N
XLogP3.70
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 68868683) is 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN1CCCC(Cn2c(Cc3ccc4c(n3)C(N)CCC4)nc3ccccc32)C1.
What is the InChIKey of 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is FKDJEFTXPOWHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-28-13-5-6-17(15-28)16-29-22-10-3-2-9-21(22)27-23(29)14-19-12-11-18-7-4-8-20(25)24(18)26-19/h2-3,9-12,17,20H,4-8,13-16,25H2,1H3.
What are the key properties of 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 389.55 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(1-methylpiperidin-3-yl)methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 68868683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).