2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide

C35H45Cl2N5O2 — CID 609717

About 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide (PubChem CID 609717) has the molecular formula C35H45Cl2N5O2 and a molecular weight of 638.68 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide
• PubChem CID: 609717
• Molecular Formula: C35H45Cl2N5O2
• Molecular Weight: 638.68 g/mol
• Exact Mass: 637.30
• IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide
• SMILES: CCC(C)(C)c1ccc(OC(C(=O)Nc2ccccc2-c2nc(-n3nc(C)c(Cl)c3C)[nH]c2Cl)C(C)C)c(C(C)(C)CC)c1
• InChI: InChI=1S/C35H45Cl2N5O2/c1-11-34(7,8)23-17-18-27(25(19-23)35(9,10)12-2)44-30(20(3)4)32(43)38-26-16-14-13-15-24(26)29-31(37)40-33(39-29)42-22(6)28(36)21(5)41-42/h13-20,30H,11-12H2,1-10H3,(H,38,43)(H,39,40)
• InChIKey: AGVDIDXHOWLRAX-UHFFFAOYSA-N
• XLogP: 9.60
• TPSA: 84.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	638.68
LogP ≤ 5	9.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide?

The IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide (CID 609717) is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide.

What is the SMILES notation for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide?

The canonical SMILES for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide is CCC(C)(C)c1ccc(OC(C(=O)Nc2ccccc2-c2nc(-n3nc(C)c(Cl)c3C)[nH]c2Cl)C(C)C)c(C(C)(C)CC)c1.

What is the InChIKey of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide?

The InChIKey is AGVDIDXHOWLRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45Cl2N5O2/c1-11-34(7,8)23-17-18-27(25(19-23)35(9,10)12-2)44-30(20(3)4)32(43)38-26-16-14-13-15-24(26)29-31(37)40-33(39-29)42-22(6)28(36)21(5)41-42/h13-20,30H,11-12H2,1-10H3,(H,38,43)(H,39,40).

What are the key properties of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide?

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide has a molecular weight of 638.68 g/mol, XLogP of 9.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[2-[5-chloro-2-(4-chloro-3,5-dimethylpyrazol-1-yl)-1H-imidazol-4-yl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 609717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).