(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol

C13H14Cl2N2O — CID 66130445

IUPAC(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-5-17-8-16-7-12(17)13(18)10-6-9(14)3-4-11(10)15/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyKXSUDYIBKIMQQD-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.68
Rot. Bonds4

About (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol

(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66130445) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
PubChem CID66130445
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol
SMILESCCCn1cncc1C(O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H14Cl2N2O/c1-2-5-17-8-16-7-12(17)13(18)10-6-9(14)3-4-11(10)15/h3-4,6-8,13,18H,2,5H2,1H3
InChIKeyKXSUDYIBKIMQQD-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol (CID 66130445) is (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)c1cc(Cl)ccc1Cl.
What is the InChIKey of (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is KXSUDYIBKIMQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c1-2-5-17-8-16-7-12(17)13(18)10-6-9(14)3-4-11(10)15/h3-4,6-8,13,18H,2,5H2,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol?
(2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol has a molecular weight of 285.17 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66130445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).