2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide

C9H15N3O2 — CID 62222646

IUPAC2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ccnc1CO
InChIInChI=1S/C9H15N3O2/c1-2-3-11-9(14)6-12-5-4-10-8(12)7-13/h4-5,13H,2-3,6-7H2,1H3,(H,11,14)
InChIKeyLLCSAMSFKSQTLR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.10
Rot. Bonds5

About 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide

2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide (PubChem CID 62222646) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
PubChem CID62222646
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide
SMILESCCCNC(=O)Cn1ccnc1CO
InChIInChI=1S/C9H15N3O2/c1-2-3-11-9(14)6-12-5-4-10-8(12)7-13/h4-5,13H,2-3,6-7H2,1H3,(H,11,14)
InChIKeyLLCSAMSFKSQTLR-UHFFFAOYSA-N
XLogP-0.10
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-2-[2-(propylaminomethyl)imidazol-1-yl]acetamide
CID 55048710
2-[2-[(cyclopropylamino)methyl]imidazol-1-yl]-N-propylacetamide
CID 62221110
2-[2-(hydroxymethyl)imidazol-1-yl]-N-phenylacetamide
CID 62221393
butyl 2-[2-(hydroxymethyl)imidazol-1-yl]acetate
CID 62223337
2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-N-propylacetamide
CID 90533937
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 62223247
N-(2-(18F)fluoroethyl)-2-(2-methylimidazol-1-yl)acetamide
CID 44626128
N-(2-bromophenyl)-2-[2-(hydroxymethyl)imidazol-1-yl]acetamide
CID 62221758
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(3-methoxypropyl)acetamide
CID 62221114
N-benzyl-2-[2-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 62223549
N-[2-(2-ethylimidazol-1-yl)ethyl]-2-pyrrolidin-1-ylacetamide
CID 91793772
N-(3-methylbutyl)-2-(2-methylimidazol-1-yl)acetamide
CID 63811458

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
The IUPAC name of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide (CID 62222646) is 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide is CCCNC(=O)Cn1ccnc1CO.
What is the InChIKey of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
The InChIKey is LLCSAMSFKSQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-11-9(14)6-12-5-4-10-8(12)7-13/h4-5,13H,2-3,6-7H2,1H3,(H,11,14).
What are the key properties of 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide?
2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide has a molecular weight of 197.24 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)imidazol-1-yl]-N-propylacetamide is sourced from PubChem (CID 62222646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).