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

C22H28N6 — CID 11625019

IUPACN-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(N3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C22H28N6/c1-27(18-8-2-5-16-6-4-10-24-21(16)18)15-20-25-17-7-3-9-19(22(17)26-20)28-13-11-23-12-14-28/h3-4,6-7,9-10,18,23H,2,5,8,11-15H2,1H3,(H,25,26)
InChIKeyAIVVNDNIWAQWOH-UHFFFAOYSA-N
MW376.51 g/mol
LogP2.88
Rot. Bonds4

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

N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11625019) has the molecular formula C22H28N6 and a molecular weight of 376.51 g/mol. Its IUPAC name is N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

Compound NameN-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
PubChem CID11625019
Molecular FormulaC22H28N6
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC NameN-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine
SMILESCN(Cc1nc2c(N3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C22H28N6/c1-27(18-8-2-5-16-6-4-10-24-21(16)18)15-20-25-17-7-3-9-19(22(17)26-20)28-13-11-23-12-14-28/h3-4,6-7,9-10,18,23H,2,5,8,11-15H2,1H3,(H,25,26)
InChIKeyAIVVNDNIWAQWOH-UHFFFAOYSA-N
XLogP2.88
TPSA60.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The IUPAC name of N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 11625019) is N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine.
What is the SMILES notation for N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The canonical SMILES for N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is CN(Cc1nc2c(N3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
The InChIKey is AIVVNDNIWAQWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6/c1-27(18-8-2-5-16-6-4-10-24-21(16)18)15-20-25-17-7-3-9-19(22(17)26-20)28-13-11-23-12-14-28/h3-4,6-7,9-10,18,23H,2,5,8,11-15H2,1H3,(H,25,26).
What are the key properties of N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine?
N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 376.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-piperazin-1-yl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11625019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).