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

C7H11ClN2O — CID 155820095

IUPAC1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol
SMILESCC(O)Cc1ncc(Cl)n1C
InChIInChI=1S/C7H11ClN2O/c1-5(11)3-7-9-4-6(8)10(7)2/h4-5,11H,3H2,1-2H3
InChIKeyAASFTCZAFKRIHB-UHFFFAOYSA-N
MW174.63 g/mol
LogP1.00
Rot. Bonds2

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

1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol (PubChem CID 155820095) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol
PubChem CID155820095
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol
SMILESCC(O)Cc1ncc(Cl)n1C
InChIInChI=1S/C7H11ClN2O/c1-5(11)3-7-9-4-6(8)10(7)2/h4-5,11H,3H2,1-2H3
InChIKeyAASFTCZAFKRIHB-UHFFFAOYSA-N
XLogP1.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol (CID 155820095) is 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol is CC(O)Cc1ncc(Cl)n1C.
What is the InChIKey of 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is AASFTCZAFKRIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN2O/c1-5(11)3-7-9-4-6(8)10(7)2/h4-5,11H,3H2,1-2H3.
What are the key properties of 1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol?
1-(5-chloro-1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 174.63 g/mol, XLogP of 1.00, 2 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)propan-2-ol is sourced from PubChem (CID 155820095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).