2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide

C18H18FN3O2 — CID 113195428

IUPAC2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-11(2)13-5-3-4-6-14(13)20-17(23)10-22-16-8-7-12(19)9-15(16)21-18(22)24/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyJEALDIYHSZRGQU-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.23
Rot. Bonds4

About 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide

2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide (PubChem CID 113195428) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
PubChem CID113195428
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccccc1NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21
InChIInChI=1S/C18H18FN3O2/c1-11(2)13-5-3-4-6-14(13)20-17(23)10-22-16-8-7-12(19)9-15(16)21-18(22)24/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyJEALDIYHSZRGQU-UHFFFAOYSA-N
XLogP3.23
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(1-phenylethyl)acetamide
CID 113195349
N-[2,6-di(propan-2-yl)phenyl]-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195295
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-propan-2-ylphenyl)acetamide
CID 108794886
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113195462
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 110419247
N-(4-fluorophenyl)-N'-(2-propan-2-ylphenyl)propanediamide
CID 108954266
N-(3-chloro-2-methylphenyl)-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195817
2-(2-oxoquinoxalin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8023093
2-(4-fluorophenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 7768669
N-(3-chloro-2-methylphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195248

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide (CID 113195428) is 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide is CC(C)c1ccccc1NC(=O)Cn1c(=O)[nH]c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
The InChIKey is JEALDIYHSZRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-11(2)13-5-3-4-6-14(13)20-17(23)10-22-16-8-7-12(19)9-15(16)21-18(22)24/h3-9,11H,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide?
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(2-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 113195428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).