2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide

C24H22FN3O2 — CID 24995061

IUPAC2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Cn1c(-c2ccccc2OCC(N)=O)nc2ccc(F)cc21
InChIInChI=1S/C24H22FN3O2/c1-15-6-5-7-16(2)19(15)13-28-21-12-17(25)10-11-20(21)27-24(28)18-8-3-4-9-22(18)30-14-23(26)29/h3-12H,13-14H2,1-2H3,(H2,26,29)
InChIKeyUOVYPMNIPVRWOJ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.37
Rot. Bonds6

About 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide

2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide (PubChem CID 24995061) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide
PubChem CID24995061
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide
SMILESCc1cccc(C)c1Cn1c(-c2ccccc2OCC(N)=O)nc2ccc(F)cc21
InChIInChI=1S/C24H22FN3O2/c1-15-6-5-7-16(2)19(15)13-28-21-12-17(25)10-11-20(21)27-24(28)18-8-3-4-9-22(18)30-14-23(26)29/h3-12H,13-14H2,1-2H3,(H2,26,29)
InChIKeyUOVYPMNIPVRWOJ-UHFFFAOYSA-N
XLogP4.37
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide (CID 24995061) is 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide is Cc1cccc(C)c1Cn1c(-c2ccccc2OCC(N)=O)nc2ccc(F)cc21.
What is the InChIKey of 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide?
The InChIKey is UOVYPMNIPVRWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-15-6-5-7-16(2)19(15)13-28-21-12-17(25)10-11-20(21)27-24(28)18-8-3-4-9-22(18)30-14-23(26)29/h3-12H,13-14H2,1-2H3,(H2,26,29).
What are the key properties of 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide?
2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide has a molecular weight of 403.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2,6-dimethylphenyl)methyl]-6-fluorobenzimidazol-2-yl]phenoxy]acetamide is sourced from PubChem (CID 24995061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).