(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride

C5H8Cl2N2O — CID 47002541

IUPAC(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride
SMILESCl.Cn1c(Cl)cnc1CO
InChIInChI=1S/C5H7ClN2O.ClH/c1-8-4(6)2-7-5(8)3-9;/h2,9H,3H2,1H3;1H
InChIKeyISSTVANZPOYASJ-UHFFFAOYSA-N
MW183.04 g/mol
LogP0.99
Rot. Bonds1

About (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride

(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride (PubChem CID 47002541) has the molecular formula C5H8Cl2N2O and a molecular weight of 183.04 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride
PubChem CID47002541
Molecular FormulaC5H8Cl2N2O
Molecular Weight183.04 g/mol
Exact Mass182.00
IUPAC Name(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride
SMILESCl.Cn1c(Cl)cnc1CO
InChIInChI=1S/C5H7ClN2O.ClH/c1-8-4(6)2-7-5(8)3-9;/h2,9H,3H2,1H3;1H
InChIKeyISSTVANZPOYASJ-UHFFFAOYSA-N
XLogP0.99
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.04
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride (CID 47002541) is (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride is Cl.Cn1c(Cl)cnc1CO.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride?
The InChIKey is ISSTVANZPOYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN2O.ClH/c1-8-4(6)2-7-5(8)3-9;/h2,9H,3H2,1H3;1H.
What are the key properties of (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride?
(5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride has a molecular weight of 183.04 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)methanol;hydrochloride is sourced from PubChem (CID 47002541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).