2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide

C14H17N3O — CID 54563123

IUPAC2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-16(2)14(18)10-13-15-8-9-17(13)11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyZRXXNMLFOPOWAS-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.56
Rot. Bonds4

About 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide

2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide (PubChem CID 54563123) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
PubChem CID54563123
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C14H17N3O/c1-16(2)14(18)10-13-15-8-9-17(13)11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3
InChIKeyZRXXNMLFOPOWAS-UHFFFAOYSA-N
XLogP1.56
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzylimidazol-2-yl)-2-methylpropanoic acid
CID 84704499
N-[2-(1-benzylimidazol-2-yl)ethyl]acetamide;ethane
CID 144709422
N-[(1-benzylimidazol-2-yl)methyl]ethanamine;hydrochloride
CID 45156296
N-[3-[[(1-benzylimidazol-2-yl)methyl-methylamino]methyl]phenyl]acetamide
CID 71988778
N-[(1-benzylimidazol-2-yl)methyl]-N,5-dimethylpyrimidin-2-amine
CID 133403457
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
1-[(1-benzylimidazol-2-yl)methyl]-3-[(2-methylphenyl)methyl]urea
CID 71869773
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N-[(1-benzylimidazol-2-yl)methyl]-2-(2,5-dioxoimidazolidin-4-yl)-N-methylacetamide
CID 77083818
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 90651517
N-[(1-benzylimidazol-2-yl)methyl]-N,1-dimethyl-6-oxopyridine-3-carboxamide
CID 50972163
[2-(1-benzylimidazol-2-yl)-1-phosphonoethyl]phosphonic acid
CID 23043549

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide (CID 54563123) is 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cc1nccn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide?
The InChIKey is ZRXXNMLFOPOWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16(2)14(18)10-13-15-8-9-17(13)11-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide?
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide has a molecular weight of 243.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 54563123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).