1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol

C14H16ClIN2O — CID 103216978

IUPAC1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H16ClIN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-12(16)11(15)8-10/h3-5,7-8,13,19H,2,6,9H2,1H3
InChIKeyWBVLKVDUXVDTEK-UHFFFAOYSA-N
MW390.65 g/mol
LogP3.83
Rot. Bonds5

About 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol

1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol (PubChem CID 103216978) has the molecular formula C14H16ClIN2O and a molecular weight of 390.65 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
PubChem CID103216978
Molecular FormulaC14H16ClIN2O
Molecular Weight390.65 g/mol
Exact Mass390.00
IUPAC Name1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
SMILESCCCn1ccnc1CC(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H16ClIN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-12(16)11(15)8-10/h3-5,7-8,13,19H,2,6,9H2,1H3
InChIKeyWBVLKVDUXVDTEK-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.65
LogP ≤ 53.83
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

1-(3-bromo-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 115566560
(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methanol
CID 103216817
2-(1-propylimidazol-2-yl)-1-quinoxalin-6-ylethanol
CID 79752733
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 103217155
1-(3-fluorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79744778
1-(2-chloro-4-methylphenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 106859395
1-(5-chlorofuran-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 106693891
N-[(3-chloro-4-iodophenyl)-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 103215312
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(3-chloro-4-iodophenyl)ethanol
CID 103216893
1-(2-amino-4-chlorophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 79752627
[1-(4-iodophenyl)-2-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105323447

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol (CID 103216978) is 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol is CCCn1ccnc1CC(O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol?
The InChIKey is WBVLKVDUXVDTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2O/c1-2-6-18-7-5-17-14(18)9-13(19)10-3-4-12(16)11(15)8-10/h3-5,7-8,13,19H,2,6,9H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol?
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol has a molecular weight of 390.65 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol is sourced from PubChem (CID 103216978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).