N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide

C19H19N3O2 — CID 18112923

IUPACN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23)
InChIKeyADXFYACZKOGKIP-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds5

About N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide (PubChem CID 18112923) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide
PubChem CID18112923
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H19N3O2/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23)
InChIKeyADXFYACZKOGKIP-UHFFFAOYSA-N
XLogP3.37
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-((Z)-1-(((3-(1H-Imidazol-1-YL)propyl)amino)carbonyl)-2-(4-methoxyphenyl)ethenyl)-4-methylbenzamide
CID 2874948
5-chloro-N-[3-(1H-imidazol-1-yl)propyl]-2-methoxybenzamide
CID 3494964
N-(4-ethylphenyl)-N-[3-(1H-imidazol-1-ylmethyl)-4-methoxybenzyl]amine
CID 20956355
2-ethoxy-N-[3-(1H-imidazol-1-yl)propyl]benzamide
CID 2931168
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3,5-dimethoxybenzamide
CID 5301742
2-ethoxy-N-(3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl)benzamide
CID 7080312
N-[2-[(2-hydroxy-3-naphthalen-1-yloxypropyl)amino]ethyl]-4-imidazol-1-ylbenzamide
CID 14739882
3-(2-Cyano-5-imidazol-1-ylmethyl-phenoxy)-N-phenyl-benzamide
CID 21696999
1-[(2-methoxyphenyl)methyl]-N-[(1R)-1-phenylpropyl]-1H-1,3-benzodiazole-5-carboxamide
CID 44132012
3-methoxy-4-(4-methylimidazol-1-yl)-N-[(3-phenylphenyl)methyl]benzamide
CID 52935148
2-Methoxy-N-(4-methyl-6-propionylamino-pyridin-3-yl)-benzamide
CID 644882
2-Methoxy-N-(6-pentanoylamino-pyridin-3-yl)-benzamide
CID 655705

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide?
The IUPAC name of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide (CID 18112923) is N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NC(C)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide?
The InChIKey is ADXFYACZKOGKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14(21-19(23)17-5-3-4-6-18(17)24-2)15-7-9-16(10-8-15)22-12-11-20-13-22/h3-14H,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide?
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-methoxybenzamide is sourced from PubChem (CID 18112923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).