N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide

C30H38ClN5O2 — CID 46932597

About N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide

N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide (PubChem CID 46932597) has the molecular formula C30H38ClN5O2 and a molecular weight of 536.12 g/mol. Its IUPAC name is N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
• PubChem CID: 46932597
• Molecular Formula: C30H38ClN5O2
• Molecular Weight: 536.12 g/mol
• Exact Mass: 535.27
• IUPAC Name: N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
• SMILES: CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)c5ccccc5Cl)CC4)CC3)cccc2[nH]1
• InChI: InChI=1S/C30H38ClN5O2/c1-20(2)28-33-26-9-5-7-24(27(26)34-28)29(37)32-18-21-10-14-35(15-11-21)19-22-12-16-36(17-13-22)30(38)23-6-3-4-8-25(23)31/h3-9,20-22H,10-19H2,1-2H3,(H,32,37)(H,33,34)
• InChIKey: CSTYAWWUQDXEGJ-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 81.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	536.12
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?

The IUPAC name of N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide (CID 46932597) is N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide.

What is the SMILES notation for N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?

The canonical SMILES for N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide is CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)c5ccccc5Cl)CC4)CC3)cccc2[nH]1.

What is the InChIKey of N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?

The InChIKey is CSTYAWWUQDXEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38ClN5O2/c1-20(2)28-33-26-9-5-7-24(27(26)34-28)29(37)32-18-21-10-14-35(15-11-21)19-22-12-16-36(17-13-22)30(38)23-6-3-4-8-25(23)31/h3-9,20-22H,10-19H2,1-2H3,(H,32,37)(H,33,34).

What are the key properties of N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide?

N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide has a molecular weight of 536.12 g/mol, XLogP of 5.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[[1-(2-chlorobenzoyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 46932597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).