N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide

C30H40FN3O2 — CID 68728815

About N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide

N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide (PubChem CID 68728815) has the molecular formula C30H40FN3O2 and a molecular weight of 493.67 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide
• PubChem CID: 68728815
• Molecular Formula: C30H40FN3O2
• Molecular Weight: 493.67 g/mol
• Exact Mass: 493.31
• IUPAC Name: N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide
• SMILES: Cc1cccc(OCC2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)c1C
• InChI: InChI=1S/C30H40FN3O2/c1-20-10-9-15-27(21(20)2)36-19-30(33-25-17-16-23(31)18-26(25)34-30)28(22-11-5-3-6-12-22)29(35)32-24-13-7-4-8-14-24/h9-10,15-18,22,24,28,33-34H,3-8,11-14,19H2,1-2H3,(H,32,35)
• InChIKey: HUTMQJCNYDWIRQ-UHFFFAOYSA-N
• XLogP: 6.70
• TPSA: 62.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.67
LogP ≤ 5	6.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide?

The IUPAC name of N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide (CID 68728815) is N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide.

What is the SMILES notation for N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide?

The canonical SMILES for N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide is Cc1cccc(OCC2(C(C(=O)NC3CCCCC3)C3CCCCC3)Nc3ccc(F)cc3N2)c1C.

What is the InChIKey of N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide?

The InChIKey is HUTMQJCNYDWIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40FN3O2/c1-20-10-9-15-27(21(20)2)36-19-30(33-25-17-16-23(31)18-26(25)34-30)28(22-11-5-3-6-12-22)29(35)32-24-13-7-4-8-14-24/h9-10,15-18,22,24,28,33-34H,3-8,11-14,19H2,1-2H3,(H,32,35).

What are the key properties of N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide?

N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide has a molecular weight of 493.67 g/mol, XLogP of 6.70, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dicyclohexyl-2-[2-[(2,3-dimethylphenoxy)methyl]-5-fluoro-1,3-dihydrobenzimidazol-2-yl]acetamide is sourced from PubChem (CID 68728815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).