N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide

C21H16FN3O2 — CID 55726124

IUPACN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C21H16FN3O2/c22-15-8-6-14(7-9-15)21-24-18-11-10-16(12-19(18)25-21)23-20(26)13-27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyVOAZCTKFBZZWAJ-UHFFFAOYSA-N
MW361.38 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide (PubChem CID 55726124) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
PubChem CID55726124
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC NameN-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1
InChIInChI=1S/C21H16FN3O2/c22-15-8-6-14(7-9-15)21-24-18-11-10-16(12-19(18)25-21)23-20(26)13-27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,26)(H,24,25)
InChIKeyVOAZCTKFBZZWAJ-UHFFFAOYSA-N
XLogP4.39
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 118717495
2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
CID 3106744
2-(2-cyanophenoxy)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55901129
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-(2-fluorophenoxy)acetamide
CID 40704455
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]-2-(2-chlorophenoxy)acetamide
CID 17296439
N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 112803411
2-(2,4-dioxopyrimidin-1-yl)-N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]acetamide
CID 55964966
[2-(3-methoxyanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23859790
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-[2-(methanesulfonamido)phenyl]acetamide
CID 86935054
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
N-[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]benzamide
CID 40617579
4-[(2-phenylacetyl)amino]-N-[4-[6-[[4-[(2-phenylacetyl)amino]benzoyl]amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 2832124

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide (CID 55726124) is N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide is O=C(COc1ccccc1)Nc1ccc2nc(-c3ccc(F)cc3)[nH]c2c1.
What is the InChIKey of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide?
The InChIKey is VOAZCTKFBZZWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c22-15-8-6-14(7-9-15)21-24-18-11-10-16(12-19(18)25-21)23-20(26)13-27-17-4-2-1-3-5-17/h1-12H,13H2,(H,23,26)(H,24,25).
What are the key properties of N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide?
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide has a molecular weight of 361.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide is sourced from PubChem (CID 55726124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).