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

C19H19N3O3 — CID 43003578

IUPAC2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-13(14-3-5-15(6-4-14)22-10-9-20-12-22)21-19(24)17-8-7-16(25-2)11-18(17)23/h3-13,23H,1-2H3,(H,21,24)
InChIKeyITPSQALNHANHKX-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.08
Rot. Bonds5

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

2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide (PubChem CID 43003578) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
PubChem CID43003578
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c(O)c1
InChIInChI=1S/C19H19N3O3/c1-13(14-3-5-15(6-4-14)22-10-9-20-12-22)21-19(24)17-8-7-16(25-2)11-18(17)23/h3-13,23H,1-2H3,(H,21,24)
InChIKeyITPSQALNHANHKX-UHFFFAOYSA-N
XLogP3.08
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,4-dimethoxybenzamide
CID 18112932
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,5-dimethoxybenzamide
CID 42916141
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
(2S)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18112945
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
3-chloro-4-hydroxy-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 31206996
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]thiophene-3-carboxamide
CID 27812115
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide (CID 43003578) is 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)c(O)c1.
What is the InChIKey of 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is ITPSQALNHANHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(14-3-5-15(6-4-14)22-10-9-20-12-22)21-19(24)17-8-7-16(25-2)11-18(17)23/h3-13,23H,1-2H3,(H,21,24).
What are the key properties of 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide?
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 337.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 43003578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).