3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol

C13H24N2O — CID 134858954

IUPAC3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
SMILESCCCCCn1ccnc1C(O)CC(C)C
InChIInChI=1S/C13H24N2O/c1-4-5-6-8-15-9-7-14-13(15)12(16)10-11(2)3/h7,9,11-12,16H,4-6,8,10H2,1-3H3
InChIKeyUAJFQDUXSFSSIC-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.15
Rot. Bonds7

About 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol

3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol (PubChem CID 134858954) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
PubChem CID134858954
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol
SMILESCCCCCn1ccnc1C(O)CC(C)C
InChIInChI=1S/C13H24N2O/c1-4-5-6-8-15-9-7-14-13(15)12(16)10-11(2)3/h7,9,11-12,16H,4-6,8,10H2,1-3H3
InChIKeyUAJFQDUXSFSSIC-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol?
The IUPAC name of 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol (CID 134858954) is 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol?
The canonical SMILES for 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol is CCCCCn1ccnc1C(O)CC(C)C.
What is the InChIKey of 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol?
The InChIKey is UAJFQDUXSFSSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-5-6-8-15-9-7-14-13(15)12(16)10-11(2)3/h7,9,11-12,16H,4-6,8,10H2,1-3H3.
What are the key properties of 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol?
3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-pentylimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 134858954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).