N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

C32H37ClN4O2 — CID 25115626

About N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 25115626) has the molecular formula C32H37ClN4O2 and a molecular weight of 545.13 g/mol. Its IUPAC name is N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
• PubChem CID: 25115626
• Molecular Formula: C32H37ClN4O2
• Molecular Weight: 545.13 g/mol
• Exact Mass: 544.26
• IUPAC Name: N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
• SMILES: COc1ccc(Cl)cc1-c1nc2cc(C)c(C)cc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1
• InChI: InChI=1S/C32H37ClN4O2/c1-21-17-29-30(18-22(21)2)37(32(35-29)28-20-26(33)9-10-31(28)39-4)14-6-13-36-15-11-24(12-16-36)25-7-5-8-27(19-25)34-23(3)38/h5,7-10,17-20,24H,6,11-16H2,1-4H3,(H,34,38)
• InChIKey: SSFUIJHCCQSHJC-UHFFFAOYSA-N
• XLogP: 7.21
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	545.13
LogP ≤ 5	7.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The IUPAC name of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 25115626) is N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

What is the SMILES notation for N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The canonical SMILES for N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is COc1ccc(Cl)cc1-c1nc2cc(C)c(C)cc2n1CCCN1CCC(c2cccc(NC(C)=O)c2)CC1.

What is the InChIKey of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

The InChIKey is SSFUIJHCCQSHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN4O2/c1-21-17-29-30(18-22(21)2)37(32(35-29)28-20-26(33)9-10-31(28)39-4)14-6-13-36-15-11-24(12-16-36)25-7-5-8-27(19-25)34-23(3)38/h5,7-10,17-20,24H,6,11-16H2,1-4H3,(H,34,38).

What are the key properties of N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?

N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 545.13 g/mol, XLogP of 7.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[3-[2-(5-chloro-2-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 25115626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).