(2-chloro-3-methylimidazol-4-yl)methanol

C5H7ClN2O — CID 59589424

IUPAC(2-chloro-3-methylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1Cl
InChIInChI=1S/C5H7ClN2O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3
InChIKeyUSEJLPWHBYBGIQ-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.57
Rot. Bonds1

About (2-chloro-3-methylimidazol-4-yl)methanol

(2-chloro-3-methylimidazol-4-yl)methanol (PubChem CID 59589424) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is (2-chloro-3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chloro-3-methylimidazol-4-yl)methanol
PubChem CID59589424
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name(2-chloro-3-methylimidazol-4-yl)methanol
SMILESCn1c(CO)cnc1Cl
InChIInChI=1S/C5H7ClN2O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3
InChIKeyUSEJLPWHBYBGIQ-UHFFFAOYSA-N
XLogP0.57
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylimidazol-4-yl)methanol?
The IUPAC name of (2-chloro-3-methylimidazol-4-yl)methanol (CID 59589424) is (2-chloro-3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (2-chloro-3-methylimidazol-4-yl)methanol?
The canonical SMILES for (2-chloro-3-methylimidazol-4-yl)methanol is Cn1c(CO)cnc1Cl.
What is the InChIKey of (2-chloro-3-methylimidazol-4-yl)methanol?
The InChIKey is USEJLPWHBYBGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O/c1-8-4(3-9)2-7-5(8)6/h2,9H,3H2,1H3.
What are the key properties of (2-chloro-3-methylimidazol-4-yl)methanol?
(2-chloro-3-methylimidazol-4-yl)methanol has a molecular weight of 146.58 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 59589424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).