1-decyl-2,3-dimethyl-2H-imidazol-4-ol

C15H30N2O — CID 163409630

IUPAC1-decyl-2,3-dimethyl-2H-imidazol-4-ol
SMILESCCCCCCCCCCN1C=C(O)N(C)C1C
InChIInChI=1S/C15H30N2O/c1-4-5-6-7-8-9-10-11-12-17-13-15(18)16(3)14(17)2/h13-14,18H,4-12H2,1-3H3
InChIKeyAAEMXABTLGDYFU-UHFFFAOYSA-N
MW254.42 g/mol
LogP4.08
Rot. Bonds9

About 1-decyl-2,3-dimethyl-2H-imidazol-4-ol

1-decyl-2,3-dimethyl-2H-imidazol-4-ol (PubChem CID 163409630) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-decyl-2,3-dimethyl-2H-imidazol-4-ol.

Molecular Properties

Compound Name1-decyl-2,3-dimethyl-2H-imidazol-4-ol
PubChem CID163409630
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-decyl-2,3-dimethyl-2H-imidazol-4-ol
SMILESCCCCCCCCCCN1C=C(O)N(C)C1C
InChIInChI=1S/C15H30N2O/c1-4-5-6-7-8-9-10-11-12-17-13-15(18)16(3)14(17)2/h13-14,18H,4-12H2,1-3H3
InChIKeyAAEMXABTLGDYFU-UHFFFAOYSA-N
XLogP4.08
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 54.08
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 1-decyl-2,3-dimethyl-2H-imidazol-4-ol?
The IUPAC name of 1-decyl-2,3-dimethyl-2H-imidazol-4-ol (CID 163409630) is 1-decyl-2,3-dimethyl-2H-imidazol-4-ol.
What is the SMILES notation for 1-decyl-2,3-dimethyl-2H-imidazol-4-ol?
The canonical SMILES for 1-decyl-2,3-dimethyl-2H-imidazol-4-ol is CCCCCCCCCCN1C=C(O)N(C)C1C.
What is the InChIKey of 1-decyl-2,3-dimethyl-2H-imidazol-4-ol?
The InChIKey is AAEMXABTLGDYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-5-6-7-8-9-10-11-12-17-13-15(18)16(3)14(17)2/h13-14,18H,4-12H2,1-3H3.
What are the key properties of 1-decyl-2,3-dimethyl-2H-imidazol-4-ol?
1-decyl-2,3-dimethyl-2H-imidazol-4-ol has a molecular weight of 254.42 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-2,3-dimethyl-2H-imidazol-4-ol is sourced from PubChem (CID 163409630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).