N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C23H24N4O2 — CID 46589610

IUPACN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cc2c(C)[nH]c3ccccc23)c2nccn2C)cc1
InChIInChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)25-15)14-21(28)26-22(23-24-12-13-27(23)2)16-8-10-17(29-3)11-9-16/h4-13,22,25H,14H2,1-3H3,(H,26,28)
InChIKeyNEDQIYLFXUMUTK-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.67
Rot. Bonds6

About N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 46589610) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID46589610
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(C(NC(=O)Cc2c(C)[nH]c3ccccc23)c2nccn2C)cc1
InChIInChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)25-15)14-21(28)26-22(23-24-12-13-27(23)2)16-8-10-17(29-3)11-9-16/h4-13,22,25H,14H2,1-3H3,(H,26,28)
InChIKeyNEDQIYLFXUMUTK-UHFFFAOYSA-N
XLogP3.67
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethylquinolin-3-yl)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25350381
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 40952513
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(1H-indol-3-yl)acetamide
CID 25339759
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
2-(2-methyl-1H-indol-3-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46589587
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
N-[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 25338605
2-(4-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 24535478

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 46589610) is N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is COc1ccc(C(NC(=O)Cc2c(C)[nH]c3ccccc23)c2nccn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is NEDQIYLFXUMUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-15-19(18-6-4-5-7-20(18)25-15)14-21(28)26-22(23-24-12-13-27(23)2)16-8-10-17(29-3)11-9-16/h4-13,22,25H,14H2,1-3H3,(H,26,28).
What are the key properties of N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46589610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).