N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine

C24H29N5 — CID 11617982

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

N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 11617982) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 11617982
• Molecular Formula: C24H29N5
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.24
• IUPAC Name: N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CN(C)CC#CCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21
• InChI: InChI=1S/C24H29N5/c1-27(2)16-6-7-17-29-21-13-5-4-12-20(21)26-23(29)18-28(3)22-14-8-10-19-11-9-15-25-24(19)22/h4-5,9,11-13,15,22H,8,10,14,16-18H2,1-3H3
• InChIKey: QFRHHIGNWWYNCW-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 37.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine (CID 11617982) is N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is CN(C)CC#CCn1c(CN(C)C2CCCc3cccnc32)nc2ccccc21.

What is the InChIKey of N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is QFRHHIGNWWYNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-27(2)16-6-7-17-29-21-13-5-4-12-20(21)26-23(29)18-28(3)22-14-8-10-19-11-9-15-25-24(19)22/h4-5,9,11-13,15,22H,8,10,14,16-18H2,1-3H3.

What are the key properties of N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 387.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[4-(dimethylamino)but-2-ynyl]benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 11617982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).