2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

C19H26N4O2 — CID 124967560

IUPAC2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1
InChIInChI=1S/C19H26N4O2/c1-13-4-5-17(25-3)15(8-13)9-18(24)20-10-16-11-21-19(22-16)14-6-7-23(2)12-14/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyITYXXRUWJXCQJG-CQSZACIVSA-N
MW342.44 g/mol
LogP2.00
Rot. Bonds6

About 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide

2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (PubChem CID 124967560) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
PubChem CID124967560
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
SMILESCOc1ccc(C)cc1CC(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1
InChIInChI=1S/C19H26N4O2/c1-13-4-5-17(25-3)15(8-13)9-18(24)20-10-16-11-21-19(22-16)14-6-7-23(2)12-14/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyITYXXRUWJXCQJG-CQSZACIVSA-N
XLogP2.00
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-2-methoxy-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]benzamide
CID 124949521
N-[[2-[(3S)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]-2-(5-methylthiophen-2-yl)acetamide
CID 124962322
N-[[2-(1-methylpyrrolidin-3-yl)-1H-imidazol-5-yl]methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 110119116
N-[(4-hydroxycyclohexyl)methyl]-2-(2-methoxy-5-methylphenyl)acetamide
CID 106121802
2-(2-methoxy-5-methylphenyl)-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 60976765
2-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]acetic acid
CID 43241710
N-cyclohexyl-2-(2-methoxy-5-methylphenyl)acetamide
CID 18108630
N-[[2-[(3S)-1-(2-phenylethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 124963297
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572657
2-(2-methoxy-5-methylphenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 9184395
(5-fluoro-2-methoxyphenyl)-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124972419

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide (CID 124967560) is 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is COc1ccc(C)cc1CC(=O)NCc1cnc([C@@H]2CCN(C)C2)[nH]1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
The InChIKey is ITYXXRUWJXCQJG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-4-5-17(25-3)15(8-13)9-18(24)20-10-16-11-21-19(22-16)14-6-7-23(2)12-14/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide?
2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide has a molecular weight of 342.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-N-[[2-[(3R)-1-methylpyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 124967560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).