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

C24H30N6O — CID 45484638

IUPAC(4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone
SMILESCN1CCN(C(=O)c2cccc3[nH]c(CN(C)C4CCCc5cccnc54)nc23)CC1
InChIInChI=1S/C24H30N6O/c1-28-12-14-30(15-13-28)24(31)18-8-4-9-19-23(18)27-21(26-19)16-29(2)20-10-3-6-17-7-5-11-25-22(17)20/h4-5,7-9,11,20H,3,6,10,12-16H2,1-2H3,(H,26,27)
InChIKeyHNEQUZWLILAGMA-UHFFFAOYSA-N
MW418.55 g/mol
LogP2.85
Rot. Bonds4

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

(4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone (PubChem CID 45484638) has the molecular formula C24H30N6O and a molecular weight of 418.55 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone
PubChem CID45484638
Molecular FormulaC24H30N6O
Molecular Weight418.55 g/mol
Exact Mass418.25
IUPAC Name(4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone
SMILESCN1CCN(C(=O)c2cccc3[nH]c(CN(C)C4CCCc5cccnc54)nc23)CC1
InChIInChI=1S/C24H30N6O/c1-28-12-14-30(15-13-28)24(31)18-8-4-9-19-23(18)27-21(26-19)16-29(2)20-10-3-6-17-7-5-11-25-22(17)20/h4-5,7-9,11,20H,3,6,10,12-16H2,1-2H3,(H,26,27)
InChIKeyHNEQUZWLILAGMA-UHFFFAOYSA-N
XLogP2.85
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.55
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone (CID 45484638) is (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone is CN1CCN(C(=O)c2cccc3[nH]c(CN(C)C4CCCc5cccnc54)nc23)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone?
The InChIKey is HNEQUZWLILAGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O/c1-28-12-14-30(15-13-28)24(31)18-8-4-9-19-23(18)27-21(26-19)16-29(2)20-10-3-6-17-7-5-11-25-22(17)20/h4-5,7-9,11,20H,3,6,10,12-16H2,1-2H3,(H,26,27).
What are the key properties of (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone?
(4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone has a molecular weight of 418.55 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]-1H-benzimidazol-4-yl]methanone is sourced from PubChem (CID 45484638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).