N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide

C14H16BrN3O3 — CID 167838160

IUPACN-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCc2ncn(C)c2Br)c1
InChIInChI=1S/C14H16BrN3O3/c1-18-8-17-11(13(18)15)5-6-16-14(20)10-7-9(21-2)3-4-12(10)19/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,20)
InChIKeyQLONOCLAOCFHMW-UHFFFAOYSA-N
MW354.20 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide

N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide (PubChem CID 167838160) has the molecular formula C14H16BrN3O3 and a molecular weight of 354.20 g/mol. Its IUPAC name is N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide
PubChem CID167838160
Molecular FormulaC14H16BrN3O3
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC NameN-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide
SMILESCOc1ccc(O)c(C(=O)NCCc2ncn(C)c2Br)c1
InChIInChI=1S/C14H16BrN3O3/c1-18-8-17-11(13(18)15)5-6-16-14(20)10-7-9(21-2)3-4-12(10)19/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,20)
InChIKeyQLONOCLAOCFHMW-UHFFFAOYSA-N
XLogP1.87
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 104693736
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2-hydroxy-5-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115579282
N-[2-(3-fluorophenyl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 60666342
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
N-(3-cyanopropyl)-2-hydroxy-5-methoxybenzamide
CID 62668483
2-hydroxy-5-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 63309154
2-[3,5-dibromo-4-[4-hydroxy-3-[2-(4-methoxyphenyl)ethylcarbamoyl]phenoxy]phenyl]acetic acid
CID 23648134
N-[(2-fluorophenyl)methyl]-2-hydroxy-5-methoxybenzamide
CID 60630315
2-hydroxy-5-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115577294
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
The IUPAC name of N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide (CID 167838160) is N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide.
What is the SMILES notation for N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
The canonical SMILES for N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide is COc1ccc(O)c(C(=O)NCCc2ncn(C)c2Br)c1.
What is the InChIKey of N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
The InChIKey is QLONOCLAOCFHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3/c1-18-8-17-11(13(18)15)5-6-16-14(20)10-7-9(21-2)3-4-12(10)19/h3-4,7-8,19H,5-6H2,1-2H3,(H,16,20).
What are the key properties of N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide?
N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide has a molecular weight of 354.20 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromo-1-methylimidazol-4-yl)ethyl]-2-hydroxy-5-methoxybenzamide is sourced from PubChem (CID 167838160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).