3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C22H24BrN3O3 — CID 75897663

IUPAC3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1cc(OC)cc(C(NC(=O)CCc2ccccc2Br)c2nccn2C)c1
InChIInChI=1S/C22H24BrN3O3/c1-26-11-10-24-22(26)21(16-12-17(28-2)14-18(13-16)29-3)25-20(27)9-8-15-6-4-5-7-19(15)23/h4-7,10-14,21H,8-9H2,1-3H3,(H,25,27)
InChIKeyUBKIXUKCHHDGSC-UHFFFAOYSA-N
MW458.36 g/mol
LogP4.04
Rot. Bonds8

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

3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 75897663) has the molecular formula C22H24BrN3O3 and a molecular weight of 458.36 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID75897663
Molecular FormulaC22H24BrN3O3
Molecular Weight458.36 g/mol
Exact Mass457.10
IUPAC Name3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1cc(OC)cc(C(NC(=O)CCc2ccccc2Br)c2nccn2C)c1
InChIInChI=1S/C22H24BrN3O3/c1-26-11-10-24-22(26)21(16-12-17(28-2)14-18(13-16)29-3)25-20(27)9-8-15-6-4-5-7-19(15)23/h4-7,10-14,21H,8-9H2,1-3H3,(H,25,27)
InChIKeyUBKIXUKCHHDGSC-UHFFFAOYSA-N
XLogP4.04
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
2-bromo-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 55457676
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-thiophen-3-ylpropanamide
CID 18151131
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
N-[(S)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31511120
N-[(R)-(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31511117
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-naphthalen-1-yloxypropanamide
CID 42951989
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-fluorophenyl)acetamide
CID 47015011
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 75897663) is 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is COc1cc(OC)cc(C(NC(=O)CCc2ccccc2Br)c2nccn2C)c1.
What is the InChIKey of 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is UBKIXUKCHHDGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3/c1-26-11-10-24-22(26)21(16-12-17(28-2)14-18(13-16)29-3)25-20(27)9-8-15-6-4-5-7-19(15)23/h4-7,10-14,21H,8-9H2,1-3H3,(H,25,27).
What are the key properties of 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 458.36 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 75897663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).