[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

C26H32ClN5O — CID 124831134

About [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (PubChem CID 124831134) has the molecular formula C26H32ClN5O and a molecular weight of 466.03 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
• PubChem CID: 124831134
• Molecular Formula: C26H32ClN5O
• Molecular Weight: 466.03 g/mol
• Exact Mass: 465.23
• IUPAC Name: [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
• SMILES: CCn1c(CN2CCC[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)nc2ccccc21
• InChI: InChI=1S/C26H32ClN5O/c1-2-32-24-11-4-3-10-23(24)28-25(32)19-29-12-6-7-20(18-29)26(33)31-15-13-30(14-16-31)22-9-5-8-21(27)17-22/h3-5,8-11,17,20H,2,6-7,12-16,18-19H2,1H3/t20-/m1/s1
• InChIKey: MYVSPPXENHEIHA-HXUWFJFHSA-N
• XLogP: 4.27
• TPSA: 44.61 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.03
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?

The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone (CID 124831134) is [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone.

What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?

The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is CCn1c(CN2CCC[C@@H](C(=O)N3CCN(c4cccc(Cl)c4)CC3)C2)nc2ccccc21.

What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?

The InChIKey is MYVSPPXENHEIHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32ClN5O/c1-2-32-24-11-4-3-10-23(24)28-25(32)19-29-12-6-7-20(18-29)26(33)31-15-13-30(14-16-31)22-9-5-8-21(27)17-22/h3-5,8-11,17,20H,2,6-7,12-16,18-19H2,1H3/t20-/m1/s1.

What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone?

[4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 466.03 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(3-chlorophenyl)piperazin-1-yl]-[(3R)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 124831134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).