1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol

C8H13ClN2O — CID 126974946

IUPAC1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol
SMILESCCCC(O)c1ncc(Cl)n1C
InChIInChI=1S/C8H13ClN2O/c1-3-4-6(12)8-10-5-7(9)11(8)2/h5-6,12H,3-4H2,1-2H3
InChIKeyBXSZGJZCGUULAN-UHFFFAOYSA-N
MW188.66 g/mol
LogP1.91
Rot. Bonds3

About 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol

1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol (PubChem CID 126974946) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol
PubChem CID126974946
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol
SMILESCCCC(O)c1ncc(Cl)n1C
InChIInChI=1S/C8H13ClN2O/c1-3-4-6(12)8-10-5-7(9)11(8)2/h5-6,12H,3-4H2,1-2H3
InChIKeyBXSZGJZCGUULAN-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 114239445
1-(5-chloro-1-methylimidazol-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanol
CID 114239421
2-amino-1-(5-chloro-1-methylimidazol-2-yl)propane-1,3-diol
CID 130490908
2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetic acid
CID 130490759
2-amino-2-(5-chloro-1-methylimidazol-2-yl)acetamide
CID 130490763
(2-chloro-5-fluorophenyl)-(5-chloro-1-methylimidazol-2-yl)methanol
CID 114239432
1-(1-methylbenzimidazol-2-yl)butan-1-ol
CID 17027803
(1R)-1-(3-chloropyrazin-2-yl)butan-1-ol
CID 95180337
2,5-dichloro-1-methylimidazole
CID 21298109
(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride
CID 47002541
2-(5-chloro-1-methylimidazol-2-yl)phenol
CID 137000627
(1R)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-1-ol
CID 70043029

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol?
The IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol (CID 126974946) is 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol is CCCC(O)c1ncc(Cl)n1C.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol?
The InChIKey is BXSZGJZCGUULAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN2O/c1-3-4-6(12)8-10-5-7(9)11(8)2/h5-6,12H,3-4H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol?
1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol has a molecular weight of 188.66 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1-methylimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 126974946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).