3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide

C8H13N3O2 — CID 66150409

IUPAC3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1CO
InChIInChI=1S/C8H13N3O2/c1-9-8(13)2-3-11-6-10-4-7(11)5-12/h4,6,12H,2-3,5H2,1H3,(H,9,13)
InChIKeyFHJHPINPHHHMQF-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.49
Rot. Bonds4

About 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide

3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide (PubChem CID 66150409) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
PubChem CID66150409
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCn1cncc1CO
InChIInChI=1S/C8H13N3O2/c1-9-8(13)2-3-11-6-10-4-7(11)5-12/h4,6,12H,2-3,5H2,1H3,(H,9,13)
InChIKeyFHJHPINPHHHMQF-UHFFFAOYSA-N
XLogP-0.49
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150619
3-(5-formylimidazol-1-yl)-N-methylpropanamide
CID 66146791
N-methyl-3-(5-phenylimidazol-1-yl)propanamide
CID 58294227
N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
3-[5-(1-amino-3-methylbutyl)imidazol-1-yl]-N-methylpropanamide
CID 114705066
3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
CID 22988642
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
N-methyl-3-[2-(methylaminomethyl)pyrrol-1-yl]propanamide
CID 66402331
3-[5-[amino(oxolan-3-yl)methyl]imidazol-1-yl]-N-methylpropanamide
CID 114719199
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
2-[5-(2-aminoethyl)imidazol-1-yl]-N-methylacetamide
CID 114715967

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide (CID 66150409) is 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide is CNC(=O)CCn1cncc1CO.
What is the InChIKey of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
The InChIKey is FHJHPINPHHHMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-9-8(13)2-3-11-6-10-4-7(11)5-12/h4,6,12H,2-3,5H2,1H3,(H,9,13).
What are the key properties of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide?
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide has a molecular weight of 183.21 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide is sourced from PubChem (CID 66150409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).