(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride

C5H9ClN2O — CID 3084707

IUPAC(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride
SMILESCc1[nH]cnc1CO.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H
InChIKeyUBHDUFNPQJWPRQ-UHFFFAOYSA-N
MW148.59 g/mol
LogP0.63
Rot. Bonds1

About (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride

(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride (PubChem CID 3084707) has the molecular formula C5H9ClN2O and a molecular weight of 148.59 g/mol. Its IUPAC name is (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride
PubChem CID3084707
Molecular FormulaC5H9ClN2O
Molecular Weight148.59 g/mol
Exact Mass148.04
IUPAC Name(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride
SMILESCc1[nH]cnc1CO.Cl
InChIInChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H
InChIKeyUBHDUFNPQJWPRQ-UHFFFAOYSA-N
XLogP0.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.59
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride?
The IUPAC name of (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride (CID 3084707) is (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride.
What is the SMILES notation for (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride?
The canonical SMILES for (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride is Cc1[nH]cnc1CO.Cl.
What is the InChIKey of (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride?
The InChIKey is UBHDUFNPQJWPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O.ClH/c1-4-5(2-8)7-3-6-4;/h3,8H,2H2,1H3,(H,6,7);1H.
What are the key properties of (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride?
(5-methyl-1H-imidazol-4-yl)methanol;hydrochloride has a molecular weight of 148.59 g/mol, XLogP of 0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-imidazol-4-yl)methanol;hydrochloride is sourced from PubChem (CID 3084707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).