(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

C23H24Cl4N4O2 — CID 98229906

About (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide

(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 98229906) has the molecular formula C23H24Cl4N4O2 and a molecular weight of 530.28 g/mol. Its IUPAC name is (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
• PubChem CID: 98229906
• Molecular Formula: C23H24Cl4N4O2
• Molecular Weight: 530.28 g/mol
• Exact Mass: 528.07
• IUPAC Name: (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide
• SMILES: C[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21
• InChI: InChI=1S/C23H24Cl4N4O2/c1-14(23(32)28-5-6-30-7-9-33-10-8-30)31-21-13-19(27)18(26)12-20(21)29-22(31)11-15-16(24)3-2-4-17(15)25/h2-4,12-14H,5-11H2,1H3,(H,28,32)/t14-/m0/s1
• InChIKey: PVYLBZQZEZBVOV-AWEZNQCLSA-N
• XLogP: 5.25
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.28
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?

The IUPAC name of (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide (CID 98229906) is (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide.

What is the SMILES notation for (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?

The canonical SMILES for (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is C[C@@H](C(=O)NCCN1CCOCC1)n1c(Cc2c(Cl)cccc2Cl)nc2cc(Cl)c(Cl)cc21.

What is the InChIKey of (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?

The InChIKey is PVYLBZQZEZBVOV-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H24Cl4N4O2/c1-14(23(32)28-5-6-30-7-9-33-10-8-30)31-21-13-19(27)18(26)12-20(21)29-22(31)11-15-16(24)3-2-4-17(15)25/h2-4,12-14H,5-11H2,1H3,(H,28,32)/t14-/m0/s1.

What are the key properties of (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide?

(2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 530.28 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5,6-dichloro-2-[(2,6-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 98229906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).