[2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid

C23H29N5O2 — CID 69248901

About [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid

[2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid (PubChem CID 69248901) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid.

Molecular Properties

• Compound Name: [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid
• PubChem CID: 69248901
• Molecular Formula: C23H29N5O2
• Molecular Weight: 407.52 g/mol
• Exact Mass: 407.23
• IUPAC Name: [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid
• SMILES: CC(C)(CNC(=O)O)Cn1c(CNC2CCCc3cccnc32)nc2ccccc21
• InChI: InChI=1S/C23H29N5O2/c1-23(2,14-26-22(29)30)15-28-19-11-4-3-9-17(19)27-20(28)13-25-18-10-5-7-16-8-6-12-24-21(16)18/h3-4,6,8-9,11-12,18,25-26H,5,7,10,13-15H2,1-2H3,(H,29,30)
• InChIKey: HHUYCKQAVRIOOC-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid?

The IUPAC name of [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid (CID 69248901) is [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid.

What is the SMILES notation for [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid?

The canonical SMILES for [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid is CC(C)(CNC(=O)O)Cn1c(CNC2CCCc3cccnc32)nc2ccccc21.

What is the InChIKey of [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid?

The InChIKey is HHUYCKQAVRIOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-23(2,14-26-22(29)30)15-28-19-11-4-3-9-17(19)27-20(28)13-25-18-10-5-7-16-8-6-12-24-21(16)18/h3-4,6,8-9,11-12,18,25-26H,5,7,10,13-15H2,1-2H3,(H,29,30).

What are the key properties of [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid?

[2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid has a molecular weight of 407.52 g/mol, XLogP of 3.89, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-dimethyl-3-[2-[(5,6,7,8-tetrahydroquinolin-8-ylamino)methyl]benzimidazol-1-yl]propyl]carbamic acid is sourced from PubChem (CID 69248901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).