N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide

C20H22FN3O2 — CID 55862665

IUPACN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
SMILESCCC(C)C(NC(=O)COc1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22FN3O2/c1-3-13(2)19(20-22-15-9-5-6-10-16(15)23-20)24-18(25)12-26-17-11-7-4-8-14(17)21/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAJZVUOXJNCBXGU-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.98
Rot. Bonds7

About N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide

N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide (PubChem CID 55862665) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
PubChem CID55862665
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide
SMILESCCC(C)C(NC(=O)COc1ccccc1F)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H22FN3O2/c1-3-13(2)19(20-22-15-9-5-6-10-16(15)23-20)24-18(25)12-26-17-11-7-4-8-14(17)21/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyAJZVUOXJNCBXGU-UHFFFAOYSA-N
XLogP3.98
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-4-(2-fluorophenoxy)butanamide
CID 60550031
N-[(1S,2R)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,3,3-trifluoropropanamide
CID 95155727
N-[2-[[1-(1H-benzimidazol-2-yl)-2-methylbutyl]amino]-2-oxoethyl]-2-methylbutanamide
CID 51091867
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 55814528
N-[1-(1H-benzimidazol-2-yl)propyl]-2-(2-methoxyphenoxy)acetamide
CID 56824045
N-[(1R,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(4-methoxyphenyl)acetamide
CID 124873697
N-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3,5-difluorobenzamide
CID 51960123
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide
CID 75489295
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-(4-methoxyphenoxy)acetamide
CID 51158137
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-chloro-4-fluorophenoxy)acetamide
CID 18116440
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-chloro-4-fluorobenzamide
CID 55812514
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(2-bromo-4-fluorophenoxy)acetamide
CID 18116332

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide (CID 55862665) is N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide is CCC(C)C(NC(=O)COc1ccccc1F)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is AJZVUOXJNCBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-3-13(2)19(20-22-15-9-5-6-10-16(15)23-20)24-18(25)12-26-17-11-7-4-8-14(17)21/h4-11,13,19H,3,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide?
N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 355.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)-2-methylbutyl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 55862665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).