1-(2-hydroxypropyl)imidazole-2-carbaldehyde

C7H10N2O2 — CID 55267444

IUPAC1-(2-hydroxypropyl)imidazole-2-carbaldehyde
SMILESCC(O)Cn1ccnc1C=O
InChIInChI=1S/C7H10N2O2/c1-6(11)4-9-3-2-8-7(9)5-10/h2-3,5-6,11H,4H2,1H3
InChIKeyKKXNFJZNAWFJGT-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.08
Rot. Bonds3

About 1-(2-hydroxypropyl)imidazole-2-carbaldehyde

1-(2-hydroxypropyl)imidazole-2-carbaldehyde (PubChem CID 55267444) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-(2-hydroxypropyl)imidazole-2-carbaldehyde
PubChem CID55267444
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(2-hydroxypropyl)imidazole-2-carbaldehyde
SMILESCC(O)Cn1ccnc1C=O
InChIInChI=1S/C7H10N2O2/c1-6(11)4-9-3-2-8-7(9)5-10/h2-3,5-6,11H,4H2,1H3
InChIKeyKKXNFJZNAWFJGT-UHFFFAOYSA-N
XLogP0.08
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylimidazol-1-yl)ethyl]imidazole-2-carbaldehyde
CID 62223868
1-(1-hydroxyethyl)imidazole-2-carbaldehyde
CID 166812072
2-(2-formylimidazol-1-yl)-N-methylacetamide
CID 62222272
1-(2-chloroethyl)imidazole-2-carbaldehyde
CID 55267738
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
1-(5-hydroxypentyl)imidazole-2-carbaldehyde
CID 62229411
1-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]imidazole-2-carbaldehyde
CID 62223686
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
1-(1-fluoroethyl)imidazole-2-carbaldehyde
CID 170565561
1-[2-(4-aminophenyl)imidazol-1-yl]propan-2-ol
CID 65277378
1-[2-(methoxymethoxy)ethyl]imidazole-2-carbaldehyde
CID 23079305

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)imidazole-2-carbaldehyde?
The IUPAC name of 1-(2-hydroxypropyl)imidazole-2-carbaldehyde (CID 55267444) is 1-(2-hydroxypropyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 1-(2-hydroxypropyl)imidazole-2-carbaldehyde?
The canonical SMILES for 1-(2-hydroxypropyl)imidazole-2-carbaldehyde is CC(O)Cn1ccnc1C=O.
What is the InChIKey of 1-(2-hydroxypropyl)imidazole-2-carbaldehyde?
The InChIKey is KKXNFJZNAWFJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(11)4-9-3-2-8-7(9)5-10/h2-3,5-6,11H,4H2,1H3.
What are the key properties of 1-(2-hydroxypropyl)imidazole-2-carbaldehyde?
1-(2-hydroxypropyl)imidazole-2-carbaldehyde has a molecular weight of 154.17 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 55267444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).