N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide

C24H26N4O4 — CID 55718660

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1cc(OC)cc(C(NC(=O)Cn2ccc3cc(OC)ccc32)c2nccn2C)c1
InChIInChI=1S/C24H26N4O4/c1-27-10-8-25-24(27)23(17-12-19(31-3)14-20(13-17)32-4)26-22(29)15-28-9-7-16-11-18(30-2)5-6-21(16)28/h5-14,23H,15H2,1-4H3,(H,26,29)
InChIKeyRIVLDAVYMIXTKB-UHFFFAOYSA-N
MW434.50 g/mol
LogP3.31
Rot. Bonds8

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

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide (PubChem CID 55718660) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
PubChem CID55718660
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide
SMILESCOc1cc(OC)cc(C(NC(=O)Cn2ccc3cc(OC)ccc32)c2nccn2C)c1
InChIInChI=1S/C24H26N4O4/c1-27-10-8-25-24(27)23(17-12-19(31-3)14-20(13-17)32-4)26-22(29)15-28-9-7-16-11-18(30-2)5-6-21(16)28/h5-14,23H,15H2,1-4H3,(H,26,29)
InChIKeyRIVLDAVYMIXTKB-UHFFFAOYSA-N
XLogP3.31
TPSA79.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-indol-1-yl-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51334347
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-naphthalen-1-ylacetamide
CID 55457067
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-methylsulfanylacetamide
CID 51273517
2-(4-chlorophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 18103829
2-(4-bromophenyl)-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 55457678
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
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-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 24625723
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 51273501
3-(4-methoxyphenyl)-N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 51269269
4-amino-N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564382
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(2-methylindol-1-yl)acetamide
CID 17488613

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide (CID 55718660) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide is COc1cc(OC)cc(C(NC(=O)Cn2ccc3cc(OC)ccc32)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
The InChIKey is RIVLDAVYMIXTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-27-10-8-25-24(27)23(17-12-19(31-3)14-20(13-17)32-4)26-22(29)15-28-9-7-16-11-18(30-2)5-6-21(16)28/h5-14,23H,15H2,1-4H3,(H,26,29).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide has a molecular weight of 434.50 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methoxyindol-1-yl)acetamide is sourced from PubChem (CID 55718660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).