N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine

C22H27FN4 — CID 167559113

About N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine

N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 167559113) has the molecular formula C22H27FN4 and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 167559113
• Molecular Formula: C22H27FN4
• Molecular Weight: 366.48 g/mol
• Exact Mass: 366.22
• IUPAC Name: N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: CCC(F)CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21
• InChI: InChI=1S/C22H27FN4/c1-2-17(23)12-14-27(15-21-25-18-9-3-4-10-19(18)26-21)20-11-5-7-16-8-6-13-24-22(16)20/h3-4,6,8-10,13,17,20H,2,5,7,11-12,14-15H2,1H3,(H,25,26)
• InChIKey: DKGKJFYQQLPBRP-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 44.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.48
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine (CID 167559113) is N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine is CCC(F)CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc21.

What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is DKGKJFYQQLPBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4/c1-2-17(23)12-14-27(15-21-25-18-9-3-4-10-19(18)26-21)20-11-5-7-16-8-6-13-24-22(16)20/h3-4,6,8-10,13,17,20H,2,5,7,11-12,14-15H2,1H3,(H,25,26).

What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine?

N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 366.48 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1H-benzimidazol-2-ylmethyl)-N-(3-fluoropentyl)-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 167559113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).