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

C23H28N6O — CID 11531533

IUPAC[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone
SMILESCN(Cc1nc2c(C(=O)N3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H28N6O/c1-28(19-9-2-5-16-6-4-10-25-21(16)19)15-20-26-18-8-3-7-17(22(18)27-20)23(30)29-13-11-24-12-14-29/h3-4,6-8,10,19,24H,2,5,9,11-15H2,1H3,(H,26,27)
InChIKeyUZYUJPSWCDMVEI-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.51
Rot. Bonds4

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

[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone (PubChem CID 11531533) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone
PubChem CID11531533
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone
SMILESCN(Cc1nc2c(C(=O)N3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21
InChIInChI=1S/C23H28N6O/c1-28(19-9-2-5-16-6-4-10-25-21(16)19)15-20-26-18-8-3-7-17(22(18)27-20)23(30)29-13-11-24-12-14-29/h3-4,6-8,10,19,24H,2,5,9,11-15H2,1H3,(H,26,27)
InChIKeyUZYUJPSWCDMVEI-UHFFFAOYSA-N
XLogP2.51
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone (CID 11531533) is [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone is CN(Cc1nc2c(C(=O)N3CCNCC3)cccc2[nH]1)C1CCCc2cccnc21.
What is the InChIKey of [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone?
The InChIKey is UZYUJPSWCDMVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-28(19-9-2-5-16-6-4-10-25-21(16)19)15-20-26-18-8-3-7-17(22(18)27-20)23(30)29-13-11-24-12-14-29/h3-4,6-8,10,19,24H,2,5,9,11-15H2,1H3,(H,26,27).
What are the key properties of [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone?
[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone has a molecular weight of 404.52 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 11531533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).