N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide

C22H18FN3O3 — CID 175272968

IUPACN-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C22H18FN3O3/c23-16-6-8-17(9-7-16)29-18-10-11-19-20(12-18)25-22(24-19)26-21(27)14-28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,24,25,26,27)
InChIKeyNHCUQLWKGPQNEJ-UHFFFAOYSA-N
MW391.40 g/mol
LogP4.65
Rot. Bonds7

About N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide

N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide (PubChem CID 175272968) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide
PubChem CID175272968
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)Nc1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C22H18FN3O3/c23-16-6-8-17(9-7-16)29-18-10-11-19-20(12-18)25-22(24-19)26-21(27)14-28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,24,25,26,27)
InChIKeyNHCUQLWKGPQNEJ-UHFFFAOYSA-N
XLogP4.65
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
CID 67010241
1-[6-(3-ethylphenoxy)-1H-benzimidazol-2-yl]-3-methylurea
CID 118709938
2-(2-methoxyethoxy)-N-[6-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]phenoxy]-1H-benzimidazol-2-yl]acetamide
CID 58905754
methyl N-(6-naphthalen-1-yloxy-1H-benzimidazol-2-yl)carbamate
CID 169450802
1-[(2-methoxyphenyl)methyl]-3-[6-[[2-[(2-methoxyphenyl)methylcarbamoylamino]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774094
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
1-(2-methylpropyl)-3-[6-[[2-(2-methylpropylcarbamoylamino)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]urea
CID 142774089
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N-(3-bromo-2-chloro-5-fluorophenyl)-2-phenylmethoxyacetamide
CID 146349325
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-phenoxyacetamide
CID 55726124
N-(6-dodecoxy-1H-benzimidazol-2-yl)benzamide
CID 57099013

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide (CID 175272968) is N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)Nc1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide?
The InChIKey is NHCUQLWKGPQNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-16-6-8-17(9-7-16)29-18-10-11-19-20(12-18)25-22(24-19)26-21(27)14-28-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,24,25,26,27).
What are the key properties of N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide?
N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide has a molecular weight of 391.40 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 175272968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).