4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol

C10H19N3O — CID 79985168

IUPAC4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
SMILESCNCCc1cn(CCCCO)cn1
InChIInChI=1S/C10H19N3O/c1-11-5-4-10-8-13(9-12-10)6-2-3-7-14/h8-9,11,14H,2-7H2,1H3
InChIKeyHIISAOZFBLDVSS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.42
Rot. Bonds7

About 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol

4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol (PubChem CID 79985168) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
PubChem CID79985168
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol
SMILESCNCCc1cn(CCCCO)cn1
InChIInChI=1S/C10H19N3O/c1-11-5-4-10-8-13(9-12-10)6-2-3-7-14/h8-9,11,14H,2-7H2,1H3
InChIKeyHIISAOZFBLDVSS-UHFFFAOYSA-N
XLogP0.42
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol?
The IUPAC name of 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol (CID 79985168) is 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol?
The canonical SMILES for 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol is CNCCc1cn(CCCCO)cn1.
What is the InChIKey of 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol?
The InChIKey is HIISAOZFBLDVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-5-4-10-8-13(9-12-10)6-2-3-7-14/h8-9,11,14H,2-7H2,1H3.
What are the key properties of 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol?
4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol has a molecular weight of 197.28 g/mol, XLogP of 0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(methylamino)ethyl]imidazol-1-yl]butan-1-ol is sourced from PubChem (CID 79985168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).