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

C9H18N2O — CID 175203047

IUPAC1-butyl-2,3-dimethyl-2H-imidazol-4-ol
SMILESCCCCN1C=C(O)N(C)C1C
InChIInChI=1S/C9H18N2O/c1-4-5-6-11-7-9(12)10(3)8(11)2/h7-8,12H,4-6H2,1-3H3
InChIKeyMCPQHWABNMXRJU-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.74
Rot. Bonds3

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

1-butyl-2,3-dimethyl-2H-imidazol-4-ol (PubChem CID 175203047) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-butyl-2,3-dimethyl-2H-imidazol-4-ol.

Molecular Properties

Compound Name1-butyl-2,3-dimethyl-2H-imidazol-4-ol
PubChem CID175203047
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-butyl-2,3-dimethyl-2H-imidazol-4-ol
SMILESCCCCN1C=C(O)N(C)C1C
InChIInChI=1S/C9H18N2O/c1-4-5-6-11-7-9(12)10(3)8(11)2/h7-8,12H,4-6H2,1-3H3
InChIKeyMCPQHWABNMXRJU-UHFFFAOYSA-N
XLogP1.74
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazol-4-ol?
The IUPAC name of 1-butyl-2,3-dimethyl-2H-imidazol-4-ol (CID 175203047) is 1-butyl-2,3-dimethyl-2H-imidazol-4-ol.
What is the SMILES notation for 1-butyl-2,3-dimethyl-2H-imidazol-4-ol?
The canonical SMILES for 1-butyl-2,3-dimethyl-2H-imidazol-4-ol is CCCCN1C=C(O)N(C)C1C.
What is the InChIKey of 1-butyl-2,3-dimethyl-2H-imidazol-4-ol?
The InChIKey is MCPQHWABNMXRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-5-6-11-7-9(12)10(3)8(11)2/h7-8,12H,4-6H2,1-3H3.
What are the key properties of 1-butyl-2,3-dimethyl-2H-imidazol-4-ol?
1-butyl-2,3-dimethyl-2H-imidazol-4-ol has a molecular weight of 170.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,3-dimethyl-2H-imidazol-4-ol is sourced from PubChem (CID 175203047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).