2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide

C26H32ClN3O2 — CID 68888846

About 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide

2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide (PubChem CID 68888846) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
• PubChem CID: 68888846
• Molecular Formula: C26H32ClN3O2
• Molecular Weight: 454.01 g/mol
• Exact Mass: 453.22
• IUPAC Name: 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
• SMILES: O=C(NC1CCCCC1)C(C1CCOCC1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1
• InChI: InChI=1S/C26H32ClN3O2/c27-20-12-10-19(11-13-20)26(29-22-8-4-5-9-23(22)30-26)24(18-14-16-32-17-15-18)25(31)28-21-6-2-1-3-7-21/h4-5,8-13,18,21,24,29-30H,1-3,6-7,14-17H2,(H,28,31)
• InChIKey: RCDHWWUOGIXDJJ-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 62.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.01
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide?

The IUPAC name of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide (CID 68888846) is 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide.

What is the SMILES notation for 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide?

The canonical SMILES for 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide is O=C(NC1CCCCC1)C(C1CCOCC1)C1(c2ccc(Cl)cc2)Nc2ccccc2N1.

What is the InChIKey of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide?

The InChIKey is RCDHWWUOGIXDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c27-20-12-10-19(11-13-20)26(29-22-8-4-5-9-23(22)30-26)24(18-14-16-32-17-15-18)25(31)28-21-6-2-1-3-7-21/h4-5,8-13,18,21,24,29-30H,1-3,6-7,14-17H2,(H,28,31).

What are the key properties of 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide?

2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide has a molecular weight of 454.01 g/mol, XLogP of 5.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)-1,3-dihydrobenzimidazol-2-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 68888846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).