3-(1-pentylimidazol-2-yl)pentan-3-ol

C13H24N2O — CID 102490460

IUPAC3-(1-pentylimidazol-2-yl)pentan-3-ol
SMILESCCCCCn1ccnc1C(O)(CC)CC
InChIInChI=1S/C13H24N2O/c1-4-7-8-10-15-11-9-14-12(15)13(16,5-2)6-3/h9,11,16H,4-8,10H2,1-3H3
InChIKeyRUDUNLDMJHXRTM-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.08
Rot. Bonds7

About 3-(1-pentylimidazol-2-yl)pentan-3-ol

3-(1-pentylimidazol-2-yl)pentan-3-ol (PubChem CID 102490460) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(1-pentylimidazol-2-yl)pentan-3-ol.

Molecular Properties

Compound Name3-(1-pentylimidazol-2-yl)pentan-3-ol
PubChem CID102490460
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-(1-pentylimidazol-2-yl)pentan-3-ol
SMILESCCCCCn1ccnc1C(O)(CC)CC
InChIInChI=1S/C13H24N2O/c1-4-7-8-10-15-11-9-14-12(15)13(16,5-2)6-3/h9,11,16H,4-8,10H2,1-3H3
InChIKeyRUDUNLDMJHXRTM-UHFFFAOYSA-N
XLogP3.08
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pentylimidazol-2-yl)pentan-3-ol?
The IUPAC name of 3-(1-pentylimidazol-2-yl)pentan-3-ol (CID 102490460) is 3-(1-pentylimidazol-2-yl)pentan-3-ol.
What is the SMILES notation for 3-(1-pentylimidazol-2-yl)pentan-3-ol?
The canonical SMILES for 3-(1-pentylimidazol-2-yl)pentan-3-ol is CCCCCn1ccnc1C(O)(CC)CC.
What is the InChIKey of 3-(1-pentylimidazol-2-yl)pentan-3-ol?
The InChIKey is RUDUNLDMJHXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-7-8-10-15-11-9-14-12(15)13(16,5-2)6-3/h9,11,16H,4-8,10H2,1-3H3.
What are the key properties of 3-(1-pentylimidazol-2-yl)pentan-3-ol?
3-(1-pentylimidazol-2-yl)pentan-3-ol has a molecular weight of 224.35 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentylimidazol-2-yl)pentan-3-ol is sourced from PubChem (CID 102490460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).