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

C8H16N2O — CID 67439857

IUPAC4-(3-methyl-2H-imidazol-1-yl)butan-2-ol
SMILESCC(O)CCN1C=CN(C)C1
InChIInChI=1S/C8H16N2O/c1-8(11)3-4-10-6-5-9(2)7-10/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyBBUYGRHWSILPAG-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.43
Rot. Bonds3

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

4-(3-methyl-2H-imidazol-1-yl)butan-2-ol (PubChem CID 67439857) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name4-(3-methyl-2H-imidazol-1-yl)butan-2-ol
PubChem CID67439857
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name4-(3-methyl-2H-imidazol-1-yl)butan-2-ol
SMILESCC(O)CCN1C=CN(C)C1
InChIInChI=1S/C8H16N2O/c1-8(11)3-4-10-6-5-9(2)7-10/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyBBUYGRHWSILPAG-UHFFFAOYSA-N
XLogP0.43
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol?
The IUPAC name of 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol (CID 67439857) is 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol.
What is the SMILES notation for 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol?
The canonical SMILES for 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol is CC(O)CCN1C=CN(C)C1.
What is the InChIKey of 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol?
The InChIKey is BBUYGRHWSILPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-8(11)3-4-10-6-5-9(2)7-10/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol?
4-(3-methyl-2H-imidazol-1-yl)butan-2-ol has a molecular weight of 156.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-2H-imidazol-1-yl)butan-2-ol is sourced from PubChem (CID 67439857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).