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

C11H11ClN2O — CID 661604

IUPAC(4-chloro-1-methylimidazol-2-yl)-phenylmethanol
SMILESCn1cc(Cl)nc1C(O)c1ccccc1
InChIInChI=1S/C11H11ClN2O/c1-14-7-9(12)13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3
InChIKeyISCFHACKIFRPJD-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.16
Rot. Bonds2

About (4-chloro-1-methylimidazol-2-yl)-phenylmethanol

(4-chloro-1-methylimidazol-2-yl)-phenylmethanol (PubChem CID 661604) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is (4-chloro-1-methylimidazol-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-chloro-1-methylimidazol-2-yl)-phenylmethanol
PubChem CID661604
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name(4-chloro-1-methylimidazol-2-yl)-phenylmethanol
SMILESCn1cc(Cl)nc1C(O)c1ccccc1
InChIInChI=1S/C11H11ClN2O/c1-14-7-9(12)13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3
InChIKeyISCFHACKIFRPJD-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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Related Compounds

(+-)-alpha-(2,4-Dichlorophenyl)-1H-imidazole-1-ethanol
CID 32238
alpha-(4-(2-Phenylethyl)phenyl)-1H-imidazole-1-ethanol
CID 53626
{4-[(1H-Imidazol-1-yl)methyl]phenyl}methanol
CID 15594569
(1-Methylimidazol-2-yl)-diphenylmethanol
CID 3113722
Bis(1-methylimidazol-2-yl)-phenylmethanol
CID 2849523
(4,5-dichloro-1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859054
2-(1H-imidazol-1-yl)-1-phenylethanol
CID 32239
Denzimol hydrochloride
CID 53625
(1-methyl-1H-imidazol-2-yl)(phenyl)methanol
CID 2859379
1-(2-Hydroxy-4-phenylbutyl)imidazole
CID 13457355
1-Imidazol-1-yl-4-phenylbutan-2-ol;hydrochloride
CID 25143490
(S)-(4-fluoro-2-propylphenyl)(1H-imidazol-2-yl)methanol
CID 126961334

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylimidazol-2-yl)-phenylmethanol?
The IUPAC name of (4-chloro-1-methylimidazol-2-yl)-phenylmethanol (CID 661604) is (4-chloro-1-methylimidazol-2-yl)-phenylmethanol.
What is the SMILES notation for (4-chloro-1-methylimidazol-2-yl)-phenylmethanol?
The canonical SMILES for (4-chloro-1-methylimidazol-2-yl)-phenylmethanol is Cn1cc(Cl)nc1C(O)c1ccccc1.
What is the InChIKey of (4-chloro-1-methylimidazol-2-yl)-phenylmethanol?
The InChIKey is ISCFHACKIFRPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O/c1-14-7-9(12)13-11(14)10(15)8-5-3-2-4-6-8/h2-7,10,15H,1H3.
What are the key properties of (4-chloro-1-methylimidazol-2-yl)-phenylmethanol?
(4-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 (4-chloro-1-methylimidazol-2-yl)-phenylmethanol is sourced from PubChem (CID 661604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).