2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

C20H20BrN3O3 — CID 55457676

IUPAC2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2ccccc2Br)c2nccn2C)c1
InChIInChI=1S/C20H20BrN3O3/c1-24-9-8-22-19(24)18(13-10-14(26-2)12-15(11-13)27-3)23-20(25)16-6-4-5-7-17(16)21/h4-12,18H,1-3H3,(H,23,25)
InChIKeyZWJHOCSUDONQTL-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.72
Rot. Bonds6

About 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide

2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (PubChem CID 55457676) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
PubChem CID55457676
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(NC(=O)c2ccccc2Br)c2nccn2C)c1
InChIInChI=1S/C20H20BrN3O3/c1-24-9-8-22-19(24)18(13-10-14(26-2)12-15(11-13)27-3)23-20(25)16-6-4-5-7-17(16)21/h4-12,18H,1-3H3,(H,23,25)
InChIKeyZWJHOCSUDONQTL-UHFFFAOYSA-N
XLogP3.72
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-nitrobenzamide
CID 134016479
4-bromo-N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-fluorobenzamide
CID 25405027
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylbenzamide
CID 18151112
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenoxybenzamide
CID 55457244
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1-methylindole-2-carboxamide
CID 55871854
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-fluorobenzamide
CID 51273493
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-methylthiophene-2-carboxamide
CID 51273479
(E)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylprop-2-enamide
CID 18283783
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The IUPAC name of 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide (CID 55457676) is 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is COc1cc(OC)cc(C(NC(=O)c2ccccc2Br)c2nccn2C)c1.
What is the InChIKey of 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
The InChIKey is ZWJHOCSUDONQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-24-9-8-22-19(24)18(13-10-14(26-2)12-15(11-13)27-3)23-20(25)16-6-4-5-7-17(16)21/h4-12,18H,1-3H3,(H,23,25).
What are the key properties of 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide?
2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide has a molecular weight of 430.30 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 55457676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).