4-(3-propyl-2H-imidazol-1-yl)butan-1-ol

C10H20N2O — CID 68799528

IUPAC4-(3-propyl-2H-imidazol-1-yl)butan-1-ol
SMILESCCCN1C=CN(CCCCO)C1
InChIInChI=1S/C10H20N2O/c1-2-5-11-7-8-12(10-11)6-3-4-9-13/h7-8,13H,2-6,9-10H2,1H3
InChIKeyVDOYLEBITTVCBD-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.22
Rot. Bonds6

About 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol

4-(3-propyl-2H-imidazol-1-yl)butan-1-ol (PubChem CID 68799528) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name4-(3-propyl-2H-imidazol-1-yl)butan-1-ol
PubChem CID68799528
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-(3-propyl-2H-imidazol-1-yl)butan-1-ol
SMILESCCCN1C=CN(CCCCO)C1
InChIInChI=1S/C10H20N2O/c1-2-5-11-7-8-12(10-11)6-3-4-9-13/h7-8,13H,2-6,9-10H2,1H3
InChIKeyVDOYLEBITTVCBD-UHFFFAOYSA-N
XLogP1.22
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.22
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 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol?
The IUPAC name of 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol (CID 68799528) is 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol.
What is the SMILES notation for 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol?
The canonical SMILES for 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol is CCCN1C=CN(CCCCO)C1.
What is the InChIKey of 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol?
The InChIKey is VDOYLEBITTVCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-2-5-11-7-8-12(10-11)6-3-4-9-13/h7-8,13H,2-6,9-10H2,1H3.
What are the key properties of 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol?
4-(3-propyl-2H-imidazol-1-yl)butan-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-2H-imidazol-1-yl)butan-1-ol is sourced from PubChem (CID 68799528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).