6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

C23H29ClN6O — CID 21471607

About 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 21471607) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 21471607
• Molecular Formula: C23H29ClN6O
• Molecular Weight: 440.98 g/mol
• Exact Mass: 440.21
• IUPAC Name: 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: CC(c1cnccn1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1
• InChI: InChI=1S/C23H29ClN6O/c1-16(21-15-25-8-9-26-21)28-10-4-18(5-11-28)29-12-6-19(7-13-29)30-22-3-2-17(24)14-20(22)27-23(30)31/h2-3,8-9,14-16,18-19H,4-7,10-13H2,1H3,(H,27,31)
• InChIKey: CVNWEQUBYIGWBJ-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 70.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.98
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 21471607) is 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(c1cnccn1)N1CCC(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)CC1.

What is the InChIKey of 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is CVNWEQUBYIGWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O/c1-16(21-15-25-8-9-26-21)28-10-4-18(5-11-28)29-12-6-19(7-13-29)30-22-3-2-17(24)14-20(22)27-23(30)31/h2-3,8-9,14-16,18-19H,4-7,10-13H2,1H3,(H,27,31).

What are the key properties of 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one?

6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 440.98 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-3-[1-[1-(1-pyrazin-2-ylethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21471607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).