2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

C18H23N3O2 — CID 135105196

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)CC1CCc2ccccc21
InChIInChI=1S/C18H23N3O2/c1-13-17(20-12-19-13)11-21(8-9-22)18(23)10-15-7-6-14-4-2-3-5-16(14)15/h2-5,12,15,22H,6-11H2,1H3,(H,19,20)
InChIKeyZULBZEQIJWHUSC-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.16
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide (PubChem CID 135105196) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
PubChem CID135105196
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
SMILESCc1[nH]cnc1CN(CCO)C(=O)CC1CCc2ccccc21
InChIInChI=1S/C18H23N3O2/c1-13-17(20-12-19-13)11-21(8-9-22)18(23)10-15-7-6-14-4-2-3-5-16(14)15/h2-5,12,15,22H,6-11H2,1H3,(H,19,20)
InChIKeyZULBZEQIJWHUSC-UHFFFAOYSA-N
XLogP2.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135100516
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 70768798
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 97145385
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
CID 99959246
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]methyl-methylamino]ethanol
CID 129363150
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 86955304
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 131948792
2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetate
CID 21310563
N-(2-hydroxyethyl)-2-(2-methylbenzimidazol-1-yl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide
CID 135116618
N-(2-hydroxyethyl)-7-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 135097372
2-(2,3-dihydro-1H-inden-1-yl)-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 110000645
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 95895283

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide (CID 135105196) is 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide is Cc1[nH]cnc1CN(CCO)C(=O)CC1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
The InChIKey is ZULBZEQIJWHUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-17(20-12-19-13)11-21(8-9-22)18(23)10-15-7-6-14-4-2-3-5-16(14)15/h2-5,12,15,22H,6-11H2,1H3,(H,19,20).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide is sourced from PubChem (CID 135105196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).