1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

C13H14ClIN2O — CID 103217155

IUPAC1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H14ClIN2O/c1-17-7-6-16-13(17)5-4-12(18)9-2-3-11(15)10(14)8-9/h2-3,6-8,12,18H,4-5H2,1H3
InChIKeyNIJDFUVYBXVMAV-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol

1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 103217155) has the molecular formula C13H14ClIN2O and a molecular weight of 376.63 g/mol. Its IUPAC name is 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID103217155
Molecular FormulaC13H14ClIN2O
Molecular Weight376.63 g/mol
Exact Mass375.98
IUPAC Name1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
SMILESCn1ccnc1CCC(O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H14ClIN2O/c1-17-7-6-16-13(17)5-4-12(18)9-2-3-11(15)10(14)8-9/h2-3,6-8,12,18H,4-5H2,1H3
InChIKeyNIJDFUVYBXVMAV-UHFFFAOYSA-N
XLogP3.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.34
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-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 103216419
1-(6-chloro-3-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529824
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529055
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562
1-(3-chloro-4-iodophenyl)-2-(1-propylimidazol-2-yl)ethanol
CID 103216978
3-(1-methylimidazol-2-yl)-1-pyridin-4-ylpropan-1-ol
CID 114529061
1-(4-methoxy-3-methylphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529108
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 115837988
1-(3,5-dibromophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 107978722
1-(3-bromo-4-methoxyphenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529049
1-(4-bromo-2-chlorophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529322
[1-(3-chloro-4-methylphenyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340350

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol (CID 103217155) is 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol is Cn1ccnc1CCC(O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is NIJDFUVYBXVMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClIN2O/c1-17-7-6-16-13(17)5-4-12(18)9-2-3-11(15)10(14)8-9/h2-3,6-8,12,18H,4-5H2,1H3.
What are the key properties of 1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol?
1-(3-chloro-4-iodophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 376.63 g/mol, XLogP of 3.34, 4 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)-3-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 103217155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).