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

C23H25Cl2N5O2 — CID 67034256

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

1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide (PubChem CID 67034256) has the molecular formula C23H25Cl2N5O2 and a molecular weight of 474.39 g/mol. Its IUPAC name is 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• PubChem CID: 67034256
• Molecular Formula: C23H25Cl2N5O2
• Molecular Weight: 474.39 g/mol
• Exact Mass: 473.14
• IUPAC Name: 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide
• SMILES: Cc1ccnc(-n2c(N3CCC(C(=O)NC4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)c1
• InChI: InChI=1S/C23H25Cl2N5O2/c1-14-2-6-26-21(10-14)30-20-12-18(25)17(24)11-19(20)28-23(30)29-7-3-15(4-8-29)22(31)27-16-5-9-32-13-16/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3,(H,27,31)
• InChIKey: LPUANWWCMKCTIK-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.39
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide (CID 67034256) is 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide is Cc1ccnc(-n2c(N3CCC(C(=O)NC4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)c1.

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

The InChIKey is LPUANWWCMKCTIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O2/c1-14-2-6-26-21(10-14)30-20-12-18(25)17(24)11-19(20)28-23(30)29-7-3-15(4-8-29)22(31)27-16-5-9-32-13-16/h2,6,10-12,15-16H,3-5,7-9,13H2,1H3,(H,27,31).

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

1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide has a molecular weight of 474.39 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5,6-dichloro-1-(4-methyl-2-pyridinyl)benzimidazol-2-yl]-N-(oxolan-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 67034256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).