N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide

C25H23N3O2 — CID 52912227

IUPACN-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C25H23N3O2/c29-25(16-20-6-2-1-3-7-20)28-21-12-10-19(11-13-21)14-15-30-24-9-5-4-8-22(24)23-17-26-18-27-23/h1-13,17-18H,14-16H2,(H,26,27)(H,28,29)
InChIKeyUGJSPCDPWVQJIE-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.88
Rot. Bonds8

About N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide

N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide (PubChem CID 52912227) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide
PubChem CID52912227
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1
InChIInChI=1S/C25H23N3O2/c29-25(16-20-6-2-1-3-7-20)28-21-12-10-19(11-13-21)14-15-30-24-9-5-4-8-22(24)23-17-26-18-27-23/h1-13,17-18H,14-16H2,(H,26,27)(H,28,29)
InChIKeyUGJSPCDPWVQJIE-UHFFFAOYSA-N
XLogP4.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate
CID 155908682
Kallikrein 5-IN-2
CID 138115400
2-[3-[6-(2-aminopyrimidin-4-yl)-1H-benzimidazol-2-yl]-3,4-dihydro-2H-chromen-8-yl]-N-cyclopropylacetamide
CID 46881479
2-(4-ethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 17582891
4-(3-Imidazol-1-ylphenyl)-7-(2-methoxyethoxy)-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-2-one
CID 9891158
1-[1-(3H-Imidazol-4-ylmethyl)-1,2,3,5-tetrahydro-benzo[e][1,4]diazepin-4-yl]-2-(2-phenoxy-phenyl)-ethanone
CID 10812928
2-[[4-(3-Imidazol-1-ylphenyl)-2-oxo-8-(2-phenylethynyl)-1,3-dihydro-1,5-benzodiazepin-7-yl]oxy]acetonitrile
CID 22448689
(2S)-N-[4-(4-chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylpropanamide
CID 45376239
(2S)-N-(4-cyclohexyloxyphenyl)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylmethoxypropanamide
CID 45376240
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-N-(4-phenoxyphenyl)-5-phenylpentanamide
CID 45377019
(4-fluorophenyl)-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]methanone
CID 49787989
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 56953917

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide (CID 52912227) is N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc(CCOc2ccccc2-c2cnc[nH]2)cc1.
What is the InChIKey of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide?
The InChIKey is UGJSPCDPWVQJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c29-25(16-20-6-2-1-3-7-20)28-21-12-10-19(11-13-21)14-15-30-24-9-5-4-8-22(24)23-17-26-18-27-23/h1-13,17-18H,14-16H2,(H,26,27)(H,28,29).
What are the key properties of N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide?
N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide has a molecular weight of 397.48 g/mol, XLogP of 4.88, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 52912227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).