(5-chloro-1-methylimidazol-2-yl)-phenylmethanol

C11H11ClN2O — CID 650470

IUPAC(5-chloro-1-methylimidazol-2-yl)-phenylmethanol
SMILESCn1c(Cl)cnc1C(O)c1ccccc1
InChIInChI=1S/C11H11ClN2O/c1-14-9(12)7-13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3
InChIKeySLAACMWJSPJIGH-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.16
Rot. Bonds2

About (5-chloro-1-methylimidazol-2-yl)-phenylmethanol

(5-chloro-1-methylimidazol-2-yl)-phenylmethanol (PubChem CID 650470) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)-phenylmethanol
PubChem CID650470
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(5-chloro-1-methylimidazol-2-yl)-phenylmethanol
SMILESCn1c(Cl)cnc1C(O)c1ccccc1
InChIInChI=1S/C11H11ClN2O/c1-14-9(12)7-13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3
InChIKeySLAACMWJSPJIGH-UHFFFAOYSA-N
XLogP2.16
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.16
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)-phenylmethanol?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)-phenylmethanol (CID 650470) is (5-chloro-1-methylimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)-phenylmethanol is Cn1c(Cl)cnc1C(O)c1ccccc1.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)-phenylmethanol?
The InChIKey is SLAACMWJSPJIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-9(12)7-13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3.
What are the key properties of (5-chloro-1-methylimidazol-2-yl)-phenylmethanol?
(5-chloro-1-methylimidazol-2-yl)-phenylmethanol has a molecular weight of 222.68 g/mol, XLogP of 2.16, 2 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)-phenylmethanol is sourced from PubChem (CID 650470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).