4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide

C21H22N4O3 — CID 146681132

IUPAC4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2cnc[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyXBDVUPNUNZHFJB-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.92
Rot. Bonds8

About 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide

4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide (PubChem CID 146681132) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide
PubChem CID146681132
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCc2cnc[nH]2)cc1OCc1ccccc1
InChIInChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26)
InChIKeyXBDVUPNUNZHFJB-UHFFFAOYSA-N
XLogP2.92
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-[3-(3-ethanoylphenoxy)propyl]-1H-imidazole
CID 11459197
2-amino-3-[(1S)-1-(4-fluorophenyl)ethyl]-5-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methyl]pyrimidin-4-one
CID 25225345
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[(3S)-3-[2-(trifluoromethyl)phenoxy]pyrrolidin-1-yl]methanone
CID 46899093
N-[4-[2-[2-(1H-imidazol-5-yl)phenoxy]ethyl]phenyl]-2-phenylacetamide
CID 52912227
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
CID 52935148
(2S)-2-[[2-(1H-imidazol-5-yl)acetyl]-methylamino]-N-(4-phenoxyphenyl)-3-phenylmethoxypropanamide
CID 56954147
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 57465247
(E)-1-(3-fluorobenzyl)-3-[3-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzylidene]piperidin-2-one
CID 59170851
N-cyclopropyl-N-[(4-ethoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 66790670
N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
CID 66790999
3-methoxy-4-(4-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 66791090

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide?
The IUPAC name of 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide (CID 146681132) is 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide.
What is the SMILES notation for 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide?
The canonical SMILES for 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide is CC(=O)Nc1ccc(C(=O)NCCc2cnc[nH]2)cc1OCc1ccccc1.
What is the InChIKey of 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide?
The InChIKey is XBDVUPNUNZHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15(26)25-19-8-7-17(21(27)23-10-9-18-12-22-14-24-18)11-20(19)28-13-16-5-3-2-4-6-16/h2-8,11-12,14H,9-10,13H2,1H3,(H,22,24)(H,23,27)(H,25,26).
What are the key properties of 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide?
4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide has a molecular weight of 378.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylmethoxybenzamide is sourced from PubChem (CID 146681132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).