5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine

C26H37N5 — CID 24752045

About 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine

5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine (PubChem CID 24752045) has the molecular formula C26H37N5 and a molecular weight of 419.62 g/mol. Its IUPAC name is 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine.

Molecular Properties

• Compound Name: 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
• PubChem CID: 24752045
• Molecular Formula: C26H37N5
• Molecular Weight: 419.62 g/mol
• Exact Mass: 419.30
• IUPAC Name: 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine
• SMILES: Cc1ccc2[nH]c(-c3ccc(N(CCCC4CCN(C)CC4)C(C)C)nc3)nc2c1C
• InChI: InChI=1S/C26H37N5/c1-18(2)31(14-6-7-21-12-15-30(5)16-13-21)24-11-9-22(17-27-24)26-28-23-10-8-19(3)20(4)25(23)29-26/h8-11,17-18,21H,6-7,12-16H2,1-5H3,(H,28,29)
• InChIKey: VHKPZPDXFNSFRR-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 48.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	419.62
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine?

The IUPAC name of 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine (CID 24752045) is 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine.

What is the SMILES notation for 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine?

The canonical SMILES for 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine is Cc1ccc2[nH]c(-c3ccc(N(CCCC4CCN(C)CC4)C(C)C)nc3)nc2c1C.

What is the InChIKey of 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine?

The InChIKey is VHKPZPDXFNSFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5/c1-18(2)31(14-6-7-21-12-15-30(5)16-13-21)24-11-9-22(17-27-24)26-28-23-10-8-19(3)20(4)25(23)29-26/h8-11,17-18,21H,6-7,12-16H2,1-5H3,(H,28,29).

What are the key properties of 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine?

5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine has a molecular weight of 419.62 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4,5-dimethyl-1H-benzimidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)propyl]-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 24752045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).