2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide

C10H17N3O2 — CID 106717340

IUPAC2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(CO)c1
InChIInChI=1S/C10H17N3O2/c1-8(2)12(3)10(15)5-13-4-9(6-14)11-7-13/h4,7-8,14H,5-6H2,1-3H3
InChIKeyGKPLPKABHIEPIG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.24
Rot. Bonds4

About 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 106717340) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID106717340
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1cnc(CO)c1
InChIInChI=1S/C10H17N3O2/c1-8(2)12(3)10(15)5-13-4-9(6-14)11-7-13/h4,7-8,14H,5-6H2,1-3H3
InChIKeyGKPLPKABHIEPIG-UHFFFAOYSA-N
XLogP0.24
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-aminoethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79983244
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(3-methylbutyl)acetamide
CID 106717474
1-[4-(hydroxymethyl)imidazol-1-yl]propan-2-ol
CID 106717444
[1-(4-methylpentyl)imidazol-4-yl]methanol
CID 106717619
2-[4-(hydroxymethyl)imidazol-1-yl]-N-(1-methoxypropan-2-yl)acetamide
CID 106717295
N,N-dimethyl-2-(4-methylimidazol-1-yl)acetamide
CID 169168176
2-[4-[(cyclopropylamino)methyl]imidazol-1-yl]-N,N-dimethylacetamide
CID 106719907
(1-pentylimidazol-4-yl)methanol
CID 11147952
N-methyl-2-[4-[(propan-2-ylamino)methyl]imidazol-1-yl]acetamide
CID 106719440
2-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 79102906
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)imidazol-1-yl]acetamide
CID 106717415
2-(4-ethylimidazol-1-yl)acetic acid
CID 54402950

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 106717340) is 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1cnc(CO)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is GKPLPKABHIEPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)12(3)10(15)5-13-4-9(6-14)11-7-13/h4,7-8,14H,5-6H2,1-3H3.
What are the key properties of 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 211.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 106717340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).