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

C8H16N2O — CID 175101111

IUPAC1-(3-methyl-2H-imidazol-1-yl)butan-1-ol
SMILESCCCC(O)N1C=CN(C)C1
InChIInChI=1S/C8H16N2O/c1-3-4-8(11)10-6-5-9(2)7-10/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyIGECGHAGLCSXDM-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.78
Rot. Bonds3

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

1-(3-methyl-2H-imidazol-1-yl)butan-1-ol (PubChem CID 175101111) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol.

Molecular Properties

Compound Name1-(3-methyl-2H-imidazol-1-yl)butan-1-ol
PubChem CID175101111
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(3-methyl-2H-imidazol-1-yl)butan-1-ol
SMILESCCCC(O)N1C=CN(C)C1
InChIInChI=1S/C8H16N2O/c1-3-4-8(11)10-6-5-9(2)7-10/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyIGECGHAGLCSXDM-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
The IUPAC name of 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol (CID 175101111) is 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol.
What is the SMILES notation for 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
The canonical SMILES for 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol is CCCC(O)N1C=CN(C)C1.
What is the InChIKey of 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
The InChIKey is IGECGHAGLCSXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-8(11)10-6-5-9(2)7-10/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol?
1-(3-methyl-2H-imidazol-1-yl)butan-1-ol has a molecular weight of 156.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2H-imidazol-1-yl)butan-1-ol is sourced from PubChem (CID 175101111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).