3-(4,5-dichloroimidazol-1-yl)butan-2-ol

C7H10Cl2N2O — CID 130857722

IUPAC3-(4,5-dichloroimidazol-1-yl)butan-2-ol
SMILESCC(O)C(C)n1cnc(Cl)c1Cl
InChIInChI=1S/C7H10Cl2N2O/c1-4(5(2)12)11-3-10-6(8)7(11)9/h3-5,12H,1-2H3
InChIKeyWOBRYTAEQQWXEY-UHFFFAOYSA-N
MW209.08 g/mol
LogP2.13
Rot. Bonds2

About 3-(4,5-dichloroimidazol-1-yl)butan-2-ol

3-(4,5-dichloroimidazol-1-yl)butan-2-ol (PubChem CID 130857722) has the molecular formula C7H10Cl2N2O and a molecular weight of 209.08 g/mol. Its IUPAC name is 3-(4,5-dichloroimidazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name3-(4,5-dichloroimidazol-1-yl)butan-2-ol
PubChem CID130857722
Molecular FormulaC7H10Cl2N2O
Molecular Weight209.08 g/mol
Exact Mass208.02
IUPAC Name3-(4,5-dichloroimidazol-1-yl)butan-2-ol
SMILESCC(O)C(C)n1cnc(Cl)c1Cl
InChIInChI=1S/C7H10Cl2N2O/c1-4(5(2)12)11-3-10-6(8)7(11)9/h3-5,12H,1-2H3
InChIKeyWOBRYTAEQQWXEY-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.08
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-6-chloro-3-propan-2-ylpyrimidin-4-one
CID 114583536
1-(3-hydroxybutan-2-yl)-5-methylpyrimidin-2-one
CID 78925706
4-chloro-1-methyl-5-propan-2-ylimidazole
CID 146392537
2-(4,5-dichloro-6-oxopyrimidin-1-yl)propanenitrile
CID 114583067
5,6-dichloro-3-(4-methylpentan-2-yl)pyrimidin-4-one
CID 130519559
(1-acetylcyclopropyl) 5-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325616
2-methylbut-3-en-2-yl 5-chloro-3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325615
2-(5-amino-4-chloro-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114582538
1-(4,5-dichloroimidazol-1-yl)-2-methylprop-2-en-1-one
CID 139615293
2-(4-chloro-5-methoxy-6-oxopyrimidin-1-yl)-N,N-dimethylpropanamide
CID 114585181
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylpropanamide
CID 114583580

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dichloroimidazol-1-yl)butan-2-ol?
The IUPAC name of 3-(4,5-dichloroimidazol-1-yl)butan-2-ol (CID 130857722) is 3-(4,5-dichloroimidazol-1-yl)butan-2-ol.
What is the SMILES notation for 3-(4,5-dichloroimidazol-1-yl)butan-2-ol?
The canonical SMILES for 3-(4,5-dichloroimidazol-1-yl)butan-2-ol is CC(O)C(C)n1cnc(Cl)c1Cl.
What is the InChIKey of 3-(4,5-dichloroimidazol-1-yl)butan-2-ol?
The InChIKey is WOBRYTAEQQWXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N2O/c1-4(5(2)12)11-3-10-6(8)7(11)9/h3-5,12H,1-2H3.
What are the key properties of 3-(4,5-dichloroimidazol-1-yl)butan-2-ol?
3-(4,5-dichloroimidazol-1-yl)butan-2-ol has a molecular weight of 209.08 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dichloroimidazol-1-yl)butan-2-ol is sourced from PubChem (CID 130857722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).