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

C10H17N3O2 — CID 66150619

IUPAC3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1cncc1CO
InChIInChI=1S/C10H17N3O2/c1-2-4-12-10(15)3-5-13-8-11-6-9(13)7-14/h6,8,14H,2-5,7H2,1H3,(H,12,15)
InChIKeyDRRSEVOUMRKFPW-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.29
Rot. Bonds6

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

3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide (PubChem CID 66150619) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide.

Molecular Properties

Compound Name3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
PubChem CID66150619
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide
SMILESCCCNC(=O)CCn1cncc1CO
InChIInChI=1S/C10H17N3O2/c1-2-4-12-10(15)3-5-13-8-11-6-9(13)7-14/h6,8,14H,2-5,7H2,1H3,(H,12,15)
InChIKeyDRRSEVOUMRKFPW-UHFFFAOYSA-N
XLogP0.29
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 66150955
3-[5-(aminomethyl)imidazol-1-yl]-N-propylpropanamide
CID 66150956
3-[5-(hydroxymethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150409
3-[(3-ethylimidazol-4-yl)methylamino]-N-propylpropanamide
CID 66135289
N-cyclopropyl-3-[5-(propylaminomethyl)imidazol-1-yl]propanamide
CID 79401326
3-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]-N-propylpropanamide
CID 114719413
3-[5-(6-amino-3-pyridinyl)imidazol-1-yl]-N-propylpropanamide
CID 114719410
3-[5-(chloromethyl)imidazol-1-yl]-N-methylpropanamide
CID 66150216
3-[(3-propylimidazol-4-yl)methylamino]propanoic acid
CID 66133554
3-[5-(hydroxymethyl)imidazol-1-yl]propan-1-ol
CID 22988642
2-(5-iodo-6-oxopyrimidin-1-yl)-N-propylacetamide
CID 66307801
3-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-propylpropanamide
CID 47137735

Frequently Asked Questions

What is the IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide?
The IUPAC name of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide (CID 66150619) is 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide.
What is the SMILES notation for 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide?
The canonical SMILES for 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide is CCCNC(=O)CCn1cncc1CO.
What is the InChIKey of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide?
The InChIKey is DRRSEVOUMRKFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-4-12-10(15)3-5-13-8-11-6-9(13)7-14/h6,8,14H,2-5,7H2,1H3,(H,12,15).
What are the key properties of 3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide?
3-[5-(hydroxymethyl)imidazol-1-yl]-N-propylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.29, 6 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-propylpropanamide is sourced from PubChem (CID 66150619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).