2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

C24H22FN3O3 — CID 17033006

IUPAC2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H22FN3O3/c1-30-21-12-9-17(13-22(21)31-2)24-27-19-5-3-4-6-20(19)28(24)15-23(29)26-14-16-7-10-18(25)11-8-16/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyXVKFODQYCZTQCX-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.18
Rot. Bonds7

About 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide

2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 17033006) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID17033006
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCOc1ccc(-c2nc3ccccc3n2CC(=O)NCc2ccc(F)cc2)cc1OC
InChIInChI=1S/C24H22FN3O3/c1-30-21-12-9-17(13-22(21)31-2)24-27-19-5-3-4-6-20(19)28(24)15-23(29)26-14-16-7-10-18(25)11-8-16/h3-13H,14-15H2,1-2H3,(H,26,29)
InChIKeyXVKFODQYCZTQCX-UHFFFAOYSA-N
XLogP4.18
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-propylacetamide
CID 17032961
N-(2,5-dimethoxyphenyl)-2-[2-(4-fluorophenyl)benzimidazol-1-yl]acetamide
CID 1157477
2-[2-(4-bromophenyl)benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17033250
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-(1-phenylethyl)acetamide
CID 17033004
N-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]acetamide
CID 17032990
2-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 17032665
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
N-[(4-fluorophenyl)methyl]-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 17033340
2-[2-(3-ethoxy-4-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20994244
N-benzyl-2-[2-(4-bromophenyl)benzimidazol-1-yl]acetamide
CID 17033248
N-[(4-fluorophenyl)methyl]-2-[2-[[(2S)-2-hydroxypropyl]amino]benzimidazol-1-yl]acetamide
CID 92852670
2-[2-(4-butoxy-3-methoxyphenyl)benzimidazol-1-yl]acetic acid
CID 20993202

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide (CID 17033006) is 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is COc1ccc(-c2nc3ccccc3n2CC(=O)NCc2ccc(F)cc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is XVKFODQYCZTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-30-21-12-9-17(13-22(21)31-2)24-27-19-5-3-4-6-20(19)28(24)15-23(29)26-14-16-7-10-18(25)11-8-16/h3-13H,14-15H2,1-2H3,(H,26,29).
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide?
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 419.46 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 17033006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).