N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide

C16H21N3O3 — CID 110026224

IUPACN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
SMILESCN(CC(C)(CO)CO)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O3/c1-16(10-20,11-21)9-18(2)15(22)13-3-5-14(6-4-13)19-8-7-17-12-19/h3-8,12,20-21H,9-11H2,1-2H3
InChIKeyZELMFCHVJFFNBT-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.94
Rot. Bonds6

About N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide

N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide (PubChem CID 110026224) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide.

Molecular Properties

Compound NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
PubChem CID110026224
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide
SMILESCN(CC(C)(CO)CO)C(=O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H21N3O3/c1-16(10-20,11-21)9-18(2)15(22)13-3-5-14(6-4-13)19-8-7-17-12-19/h3-8,12,20-21H,9-11H2,1-2H3
InChIKeyZELMFCHVJFFNBT-UHFFFAOYSA-N
XLogP0.94
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)ethyl]-4-imidazol-1-yl-N-methylbenzamide
CID 110484011
N-(3-amino-4-methylpentyl)-4-imidazol-1-yl-N-methylbenzamide
CID 119659188
2-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 69134424
N-[2-(diethylamino)ethyl]-N-ethyl-4-imidazol-1-ylbenzamide
CID 21275378
N-(2-hydroxy-2-methylpropyl)-N-methyl-4-pyrrol-1-ylbenzamide
CID 79291124
N-(1-hydroxy-3-methylpentan-3-yl)-4-imidazol-1-ylbenzamide
CID 110002138
4-imidazol-1-yl-N-propylbenzamide
CID 31533072
N-cyclopropyl-N-(1-ethylpiperidin-4-yl)-4-imidazol-1-ylbenzamide
CID 56822078
2-[(4-imidazol-1-ylbenzoyl)-(2-methoxyethyl)amino]acetic acid
CID 119348134
4-[[(4-imidazol-1-ylphenyl)methyl-methylamino]methyl]-N-methylbenzamide
CID 138041303
N-(4-imidazol-1-ylphenyl)-2,2-dimethylpropanamide
CID 37186383
4-[(4-imidazol-1-ylbenzoyl)amino]-4-methylpentanoic acid
CID 119357488

Frequently Asked Questions

What is the IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide?
The IUPAC name of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide (CID 110026224) is N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide.
What is the SMILES notation for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide?
The canonical SMILES for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide is CN(CC(C)(CO)CO)C(=O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide?
The InChIKey is ZELMFCHVJFFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-16(10-20,11-21)9-18(2)15(22)13-3-5-14(6-4-13)19-8-7-17-12-19/h3-8,12,20-21H,9-11H2,1-2H3.
What are the key properties of N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide?
N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide has a molecular weight of 303.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl]-4-imidazol-1-yl-N-methylbenzamide is sourced from PubChem (CID 110026224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).