N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide

C23H23Cl2N5O — CID 147061813

About N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 147061813) has the molecular formula C23H23Cl2N5O and a molecular weight of 456.38 g/mol. Its IUPAC name is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 147061813
• Molecular Formula: C23H23Cl2N5O
• Molecular Weight: 456.38 g/mol
• Exact Mass: 455.13
• IUPAC Name: N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide
• SMILES: O=C(NCc1nc2ccc(Cl)cc2[nH]1)C1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1
• InChI: InChI=1S/C23H23Cl2N5O/c24-16-1-3-19-18(9-16)15(11-26-19)13-30-7-5-14(6-8-30)23(31)27-12-22-28-20-4-2-17(25)10-21(20)29-22/h1-4,9-11,14,26H,5-8,12-13H2,(H,27,31)(H,28,29)
• InChIKey: BDHZDBTVYWZLTL-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 76.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.38
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide (CID 147061813) is N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide is O=C(NCc1nc2ccc(Cl)cc2[nH]1)C1CCN(Cc2c[nH]c3ccc(Cl)cc23)CC1.

What is the InChIKey of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide?

The InChIKey is BDHZDBTVYWZLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2N5O/c24-16-1-3-19-18(9-16)15(11-26-19)13-30-7-5-14(6-8-30)23(31)27-12-22-28-20-4-2-17(25)10-21(20)29-22/h1-4,9-11,14,26H,5-8,12-13H2,(H,27,31)(H,28,29).

What are the key properties of N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide?

N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 456.38 g/mol, XLogP of 4.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-chloro-1H-benzimidazol-2-yl)methyl]-1-[(5-chloro-1H-indol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 147061813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).