2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide

C16H18N4O2 — CID 139003508

IUPAC2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3cncn3C)c2c1
InChIInChI=1S/C16H18N4O2/c1-20-10-17-8-12(20)9-19-16(21)5-11-7-18-15-4-3-13(22-2)6-14(11)15/h3-4,6-8,10,18H,5,9H2,1-2H3,(H,19,21)
InChIKeyWRCIDFVIRGLQAR-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.77
Rot. Bonds5

About 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide

2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide (PubChem CID 139003508) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide
PubChem CID139003508
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide
SMILESCOc1ccc2[nH]cc(CC(=O)NCc3cncn3C)c2c1
InChIInChI=1S/C16H18N4O2/c1-20-10-17-8-12(20)9-19-16(21)5-11-7-18-15-4-3-13(22-2)6-14(11)15/h3-4,6-8,10,18H,5,9H2,1-2H3,(H,19,21)
InChIKeyWRCIDFVIRGLQAR-UHFFFAOYSA-N
XLogP1.77
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 78872247
2-(5-methoxy-1H-indol-3-yl)-N-propan-2-ylacetamide
CID 110847876
2-(5-methoxy-1H-indol-3-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 113209591
N-(3-hydroxybutyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 111433362
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 136576880
N-[(5-methoxy-1H-indol-3-yl)methyl]acetamide
CID 71554009
2-(5-methoxy-1H-indol-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 113209588
2-(5-methoxy-1H-indol-3-yl)-N-(2-methyl-1,3-thiazol-5-yl)acetamide
CID 154833363
N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 60610770
N-(4-bromophenyl)-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209668
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
(2S)-2-[[2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694580

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide (CID 139003508) is 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide is COc1ccc2[nH]cc(CC(=O)NCc3cncn3C)c2c1.
What is the InChIKey of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide?
The InChIKey is WRCIDFVIRGLQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-20-10-17-8-12(20)9-19-16(21)5-11-7-18-15-4-3-13(22-2)6-14(11)15/h3-4,6-8,10,18H,5,9H2,1-2H3,(H,19,21).
What are the key properties of 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide?
2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide has a molecular weight of 298.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1H-indol-3-yl)-N-[(3-methylimidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 139003508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).