4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide

C14H19N3O2 — CID 167238473

IUPAC4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2C=CN(C)C2O)cc1
InChIInChI=1S/C14H19N3O2/c1-15(2)13(18)12-6-4-11(5-7-12)10-17-9-8-16(3)14(17)19/h4-9,14,19H,10H2,1-3H3
InChIKeyBHDOBGBYRNISAZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.88
Rot. Bonds3

About 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide

4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide (PubChem CID 167238473) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide
PubChem CID167238473
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(CN2C=CN(C)C2O)cc1
InChIInChI=1S/C14H19N3O2/c1-15(2)13(18)12-6-4-11(5-7-12)10-17-9-8-16(3)14(17)19/h4-9,14,19H,10H2,1-3H3
InChIKeyBHDOBGBYRNISAZ-UHFFFAOYSA-N
XLogP0.88
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434293
4-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434309
N,N-dimethyl-4-(morpholin-4-ylmethyl)benzamide
CID 43918660
N,N-dimethyl-4-(methylaminomethyl)benzamide
CID 155590632
N,N-dimethyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94870727
N-cyclopentyl-N-methyl-4-(piperidin-1-ylmethyl)benzamide
CID 46772901
4-[(4-chlorophenyl)methylcarbamothioylamino]-N,N-dimethylbenzamide
CID 100589417
[4-[[4-(dimethylcarbamoyl)phenyl]methyl]phenyl]boronic acid;molecular hydrogen
CID 160940666
4-(3-aminopropyl)-N,N-dimethylbenzamide;oxalic acid
CID 70523631
4-[amino-(4-ethylphenyl)methyl]-N,N-dimethylbenzamide
CID 66820082
4-(chloromethyl)-N-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43333302
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434906

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide (CID 167238473) is 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(CN2C=CN(C)C2O)cc1.
What is the InChIKey of 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide?
The InChIKey is BHDOBGBYRNISAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-15(2)13(18)12-6-4-11(5-7-12)10-17-9-8-16(3)14(17)19/h4-9,14,19H,10H2,1-3H3.
What are the key properties of 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide?
4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide has a molecular weight of 261.32 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-3-methyl-2H-imidazol-1-yl)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 167238473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).