4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

C14H16BrN3O2 — CID 78988023

IUPAC4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCc1nccn1C
InChIInChI=1S/C14H16BrN3O2/c1-18-8-7-16-13(18)5-6-17-14(19)11-4-3-10(15)9-12(11)20-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyLHXLXQBNVMYLBM-UHFFFAOYSA-N
MW338.21 g/mol
LogP2.16
Rot. Bonds5

About 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide

4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (PubChem CID 78988023) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
PubChem CID78988023
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
SMILESCOc1cc(Br)ccc1C(=O)NCCc1nccn1C
InChIInChI=1S/C14H16BrN3O2/c1-18-8-7-16-13(18)5-6-17-14(19)11-4-3-10(15)9-12(11)20-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,19)
InChIKeyLHXLXQBNVMYLBM-UHFFFAOYSA-N
XLogP2.16
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-(2-bromoethyl)-2-methoxybenzamide
CID 115369513
4-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 22346935
2-amino-4-bromo-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 79721607
4-bromo-2-methoxy-N-(2-methylsulfanylethyl)benzamide
CID 78987502
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487
4-bromo-N-[2-(dimethylcarbamoylamino)ethyl]-2-methoxybenzamide
CID 83121333
1-(4-bromo-2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049845
4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 118771709
4-bromo-2-methoxy-N-(3-methylsulfanylpropyl)benzamide
CID 78994367
2-[2-[(4-bromo-2-methoxybenzoyl)amino]ethoxy]acetic acid
CID 113295972
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
5-amino-2-bromo-4-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 62814568

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide (CID 78988023) is 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is COc1cc(Br)ccc1C(=O)NCCc1nccn1C.
What is the InChIKey of 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
The InChIKey is LHXLXQBNVMYLBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-18-8-7-16-13(18)5-6-17-14(19)11-4-3-10(15)9-12(11)20-2/h3-4,7-9H,5-6H2,1-2H3,(H,17,19).
What are the key properties of 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide?
4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide has a molecular weight of 338.21 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 78988023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).