N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide

C27H24FN5O3 — CID 67010241

IUPACN-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NC(COCc1ccccc1)c1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33)
InChIKeyUMQPSIJUDQZAGS-UHFFFAOYSA-N
MW485.52 g/mol
LogP4.83
Rot. Bonds10

About N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide

N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide (PubChem CID 67010241) has the molecular formula C27H24FN5O3 and a molecular weight of 485.52 g/mol. Its IUPAC name is N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
PubChem CID67010241
Molecular FormulaC27H24FN5O3
Molecular Weight485.52 g/mol
Exact Mass485.19
IUPAC NameN-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide
SMILESO=C(Cc1cnc[nH]1)NC(COCc1ccccc1)c1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1
InChIInChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33)
InChIKeyUMQPSIJUDQZAGS-UHFFFAOYSA-N
XLogP4.83
TPSA104.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.52
LogP ≤ 54.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)-4-(4-fluorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamide
CID 174636588
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-3-(1H-imidazol-5-yl)propanamide
CID 58523106
N-[4-(4-fluorophenoxy)phenyl]-2-[[2-[2-(1H-imidazol-5-yl)ethylamino]acetyl]amino]-3-phenylmethoxypropanamide
CID 67009447
N-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyacetamide
CID 175272968
N-[4-(3-chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamide
CID 67010623
N-[(2S)-4-[4-[(5-bromo-1,3-thiazol-2-yl)oxy]phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-(1H-imidazol-5-yl)acetamide
CID 58522903
2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxy-N-[4-(1,3-thiazol-2-yloxy)phenyl]propanamide
CID 67010843
(2S)-N-[4-(4-fluorophenoxy)phenyl]-3-phenylmethoxy-2-[(2-pyridin-3-ylacetyl)amino]propanamide
CID 67010683
N-[(2S)-4-[4-(4-fluorophenoxy)phenyl]-3-oxo-1-phenylmethoxybutan-2-yl]-2-pyrazin-2-ylacetamide
CID 58523198
2-(1H-benzimidazol-2-yl)-1-(3,5-difluorophenyl)-3-[3-(1H-imidazol-5-ylmethylamino)phenyl]propane-1,3-dione
CID 91220126
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4969011
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-phenylacetamide
CID 2114874

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
The IUPAC name of N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide (CID 67010241) is N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide.
What is the SMILES notation for N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
The canonical SMILES for N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide is O=C(Cc1cnc[nH]1)NC(COCc1ccccc1)c1nc2ccc(Oc3ccc(F)cc3)cc2[nH]1.
What is the InChIKey of N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
The InChIKey is UMQPSIJUDQZAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O3/c28-19-6-8-21(9-7-19)36-22-10-11-23-24(13-22)33-27(32-23)25(16-35-15-18-4-2-1-3-5-18)31-26(34)12-20-14-29-17-30-20/h1-11,13-14,17,25H,12,15-16H2,(H,29,30)(H,31,34)(H,32,33).
What are the key properties of N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide?
N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide has a molecular weight of 485.52 g/mol, XLogP of 4.83, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(4-fluorophenoxy)-1H-benzimidazol-2-yl]-2-phenylmethoxyethyl]-2-(1H-imidazol-5-yl)acetamide is sourced from PubChem (CID 67010241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).