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

C23H25Cl2N5O3 — CID 67034853

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

1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 67034853) has the molecular formula C23H25Cl2N5O3 and a molecular weight of 490.39 g/mol. Its IUPAC name is 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
• PubChem CID: 67034853
• Molecular Formula: C23H25Cl2N5O3
• Molecular Weight: 490.39 g/mol
• Exact Mass: 489.13
• IUPAC Name: 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
• SMILES: COc1cccc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)n1
• InChI: InChI=1S/C23H25Cl2N5O3/c1-32-21-4-2-3-20(28-21)30-19-12-17(25)16(24)11-18(19)27-23(30)29-8-5-14(6-9-29)22(31)26-15-7-10-33-13-15/h2-4,11-12,14-15H,5-10,13H2,1H3,(H,26,31)/t15-/m1/s1
• InChIKey: DTGZSQMHQLUTJH-OAHLLOKOSA-N
• XLogP: 3.86
• TPSA: 81.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.39
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 67034853) is 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

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

The canonical SMILES for 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is COc1cccc(-n2c(N3CCC(C(=O)N[C@@H]4CCOC4)CC3)nc3cc(Cl)c(Cl)cc32)n1.

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

The InChIKey is DTGZSQMHQLUTJH-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H25Cl2N5O3/c1-32-21-4-2-3-20(28-21)30-19-12-17(25)16(24)11-18(19)27-23(30)29-8-5-14(6-9-29)22(31)26-15-7-10-33-13-15/h2-4,11-12,14-15H,5-10,13H2,1H3,(H,26,31)/t15-/m1/s1.

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

1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 490.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5,6-dichloro-1-(6-methoxy-2-pyridinyl)benzimidazol-2-yl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 67034853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).