2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C21H22BrN3O3 — CID 25325158

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1OC
InChIInChI=1S/C21H22BrN3O3/c1-25-10-9-23-21(25)20(14-7-5-4-6-8-14)24-19(26)12-15-11-17(27-2)18(28-3)13-16(15)22/h4-11,13,20H,12H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeySYKUOBGFJRUDGY-HXUWFJFHSA-N
MW444.33 g/mol
LogP3.65
Rot. Bonds7

About 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 25325158) has the molecular formula C21H22BrN3O3 and a molecular weight of 444.33 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID25325158
Molecular FormulaC21H22BrN3O3
Molecular Weight444.33 g/mol
Exact Mass443.08
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCOc1cc(Br)c(CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1OC
InChIInChI=1S/C21H22BrN3O3/c1-25-10-9-23-21(25)20(14-7-5-4-6-8-14)24-19(26)12-15-11-17(27-2)18(28-3)13-16(15)22/h4-11,13,20H,12H2,1-3H3,(H,24,26)/t20-/m1/s1
InChIKeySYKUOBGFJRUDGY-HXUWFJFHSA-N
XLogP3.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 46512994
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
2-(2-bromo-4-methylphenoxy)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide
CID 25366977
1-[(2-methoxyphenyl)methyl]-3-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]urea
CID 38202343
3-(2,3-dimethoxyphenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 18102285
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 75897663
N-[(R)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 25350189
2-(2,4-dimethoxyphenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 46528435
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
(1R)-N-[(5-bromo-2-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)-1-phenylmethanamine
CID 92854374

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 25325158) is 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide is COc1cc(Br)c(CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is SYKUOBGFJRUDGY-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22BrN3O3/c1-25-10-9-23-21(25)20(14-7-5-4-6-8-14)24-19(26)12-15-11-17(27-2)18(28-3)13-16(15)22/h4-11,13,20H,12H2,1-3H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 444.33 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 25325158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).