1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea

C21H26N6O3 — CID 76559592

About 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea

1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea (PubChem CID 76559592) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea.

Molecular Properties

• Compound Name: 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea
• PubChem CID: 76559592
• Molecular Formula: C21H26N6O3
• Molecular Weight: 410.48 g/mol
• Exact Mass: 410.21
• IUPAC Name: 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea
• SMILES: COc1ccc2nc(C3CC(NC(=O)Nc4ccc(OC)nc4)CCN3C)[nH]c2c1
• InChI: InChI=1S/C21H26N6O3/c1-27-9-8-13(23-21(28)24-14-4-7-19(30-3)22-12-14)10-18(27)20-25-16-6-5-15(29-2)11-17(16)26-20/h4-7,11-13,18H,8-10H2,1-3H3,(H,25,26)(H2,23,24,28)
• InChIKey: LIXUYQDDJJDFRB-UHFFFAOYSA-N
• XLogP: 2.93
• TPSA: 104.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.48
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea?

The IUPAC name of 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea (CID 76559592) is 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea.

What is the SMILES notation for 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea?

The canonical SMILES for 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea is COc1ccc2nc(C3CC(NC(=O)Nc4ccc(OC)nc4)CCN3C)[nH]c2c1.

What is the InChIKey of 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea?

The InChIKey is LIXUYQDDJJDFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-27-9-8-13(23-21(28)24-14-4-7-19(30-3)22-12-14)10-18(27)20-25-16-6-5-15(29-2)11-17(16)26-20/h4-7,11-13,18H,8-10H2,1-3H3,(H,25,26)(H2,23,24,28).

What are the key properties of 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea?

1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea has a molecular weight of 410.48 g/mol, XLogP of 2.93, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(6-methoxy-1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(6-methoxy-3-pyridinyl)urea is sourced from PubChem (CID 76559592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).