(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol

C12H13IN2O — CID 61315347

IUPAC(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol
SMILESCCn1ccnc1C(O)c1cccc(I)c1
InChIInChI=1S/C12H13IN2O/c1-2-15-7-6-14-12(15)11(16)9-4-3-5-10(13)8-9/h3-8,11,16H,2H2,1H3
InChIKeyJJVYVERBPSYXRS-UHFFFAOYSA-N
MW328.15 g/mol
LogP2.59
Rot. Bonds3

About (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol

(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol (PubChem CID 61315347) has the molecular formula C12H13IN2O and a molecular weight of 328.15 g/mol. Its IUPAC name is (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol.

Molecular Properties

Compound Name(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol
PubChem CID61315347
Molecular FormulaC12H13IN2O
Molecular Weight328.15 g/mol
Exact Mass328.01
IUPAC Name(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol
SMILESCCn1ccnc1C(O)c1cccc(I)c1
InChIInChI=1S/C12H13IN2O/c1-2-15-7-6-14-12(15)11(16)9-4-3-5-10(13)8-9/h3-8,11,16H,2H2,1H3
InChIKeyJJVYVERBPSYXRS-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314221
(3-methoxyphenyl)-(1-propylimidazol-2-yl)methanol
CID 61317073
(1-ethylimidazol-2-yl)-pyridazin-4-ylmethanol
CID 104672120
(1-ethylimidazol-2-yl)-(6-methoxynaphthalen-2-yl)methanol
CID 63976278
(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
CID 103216817
(1-ethylimidazol-2-yl)-(3,4,5-trimethoxyphenyl)methanol
CID 2890298
(1-ethylimidazol-2-yl)-quinolin-8-ylmethanol
CID 55126409
(1-propylimidazol-2-yl)-pyridin-3-ylmethanol
CID 61315543
(1-ethylimidazol-2-yl)-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methanol
CID 63976074
(4-chloro-1-ethylpyrazol-5-yl)-(3-iodophenyl)methanol
CID 115834841
(1-ethylimidazol-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 114554153
(2,4-difluorophenyl)-(1-ethylimidazol-2-yl)methanol
CID 61314416

Frequently Asked Questions

What is the IUPAC name of (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol?
The IUPAC name of (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol (CID 61315347) is (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol.
What is the SMILES notation for (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol?
The canonical SMILES for (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol is CCn1ccnc1C(O)c1cccc(I)c1.
What is the InChIKey of (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol?
The InChIKey is JJVYVERBPSYXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13IN2O/c1-2-15-7-6-14-12(15)11(16)9-4-3-5-10(13)8-9/h3-8,11,16H,2H2,1H3.
What are the key properties of (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol?
(1-ethylimidazol-2-yl)-(3-iodophenyl)methanol has a molecular weight of 328.15 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylimidazol-2-yl)-(3-iodophenyl)methanol is sourced from PubChem (CID 61315347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).