1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide

C24H26Cl2N4O2 — CID 67034157

About 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide

1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide (PubChem CID 67034157) has the molecular formula C24H26Cl2N4O2 and a molecular weight of 473.40 g/mol. Its IUPAC name is 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• PubChem CID: 67034157
• Molecular Formula: C24H26Cl2N4O2
• Molecular Weight: 473.40 g/mol
• Exact Mass: 472.14
• IUPAC Name: 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• SMILES: Cc1ccc(-n2c(N3CCC(C(=O)NC4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)cc1
• InChI: InChI=1S/C24H26Cl2N4O2/c1-15-2-4-18(5-3-15)30-22-13-20(26)19(25)12-21(22)28-24(30)29-9-6-16(7-10-29)23(31)27-17-8-11-32-14-17/h2-5,12-13,16-17H,6-11,14H2,1H3,(H,27,31)
• InChIKey: UMHKACGWDVZXPX-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.40
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The IUPAC name of 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide (CID 67034157) is 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

What is the SMILES notation for 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The canonical SMILES for 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide is Cc1ccc(-n2c(N3CCC(C(=O)NC4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)cc1.

What is the InChIKey of 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

The InChIKey is UMHKACGWDVZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O2/c1-15-2-4-18(5-3-15)30-22-13-20(26)19(25)12-21(22)28-24(30)29-9-6-16(7-10-29)23(31)27-17-8-11-32-14-17/h2-5,12-13,16-17H,6-11,14H2,1H3,(H,27,31).

What are the key properties of 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide?

1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide has a molecular weight of 473.40 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5,6-dichloro-1-(4-methylphenyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67034157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).