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

C23H18Cl4N4O — CID 97037472

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

(2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide (PubChem CID 97037472) has the molecular formula C23H18Cl4N4O and a molecular weight of 508.24 g/mol. Its IUPAC name is (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide.

Molecular Properties

• Compound Name: (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide
• PubChem CID: 97037472
• Molecular Formula: C23H18Cl4N4O
• Molecular Weight: 508.24 g/mol
• Exact Mass: 506.02
• IUPAC Name: (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide
• SMILES: C[C@@H](C(=O)NCc1ccncc1)n1c(Cc2ccc(Cl)cc2Cl)nc2cc(Cl)c(Cl)cc21
• InChI: InChI=1S/C23H18Cl4N4O/c1-13(23(32)29-12-14-4-6-28-7-5-14)31-21-11-19(27)18(26)10-20(21)30-22(31)8-15-2-3-16(24)9-17(15)25/h2-7,9-11,13H,8,12H2,1H3,(H,29,32)/t13-/m0/s1
• InChIKey: PRPVVJGFGUAJCV-ZDUSSCGKSA-N
• XLogP: 6.51
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	508.24
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide (CID 97037472) is (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide.

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

The canonical SMILES for (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide is C[C@@H](C(=O)NCc1ccncc1)n1c(Cc2ccc(Cl)cc2Cl)nc2cc(Cl)c(Cl)cc21.

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

The InChIKey is PRPVVJGFGUAJCV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H18Cl4N4O/c1-13(23(32)29-12-14-4-6-28-7-5-14)31-21-11-19(27)18(26)10-20(21)30-22(31)8-15-2-3-16(24)9-17(15)25/h2-7,9-11,13H,8,12H2,1H3,(H,29,32)/t13-/m0/s1.

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

(2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide has a molecular weight of 508.24 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[5,6-dichloro-2-[(2,4-dichlorophenyl)methyl]benzimidazol-1-yl]-N-(pyridin-4-ylmethyl)propanamide is sourced from PubChem (CID 97037472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).