1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol

C15H19ClN2O — CID 11514644

IUPAC1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
SMILESCCCCC(O)(c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C15H19ClN2O/c1-3-4-9-15(19,14-17-10-11-18(14)2)12-5-7-13(16)8-6-12/h5-8,10-11,19H,3-4,9H2,1-2H3
InChIKeyBDHNPQBABBNTNE-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.50
Rot. Bonds5

About 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol

1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol (PubChem CID 11514644) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
PubChem CID11514644
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol
SMILESCCCCC(O)(c1ccc(Cl)cc1)c1nccn1C
InChIInChI=1S/C15H19ClN2O/c1-3-4-9-15(19,14-17-10-11-18(14)2)12-5-7-13(16)8-6-12/h5-8,10-11,19H,3-4,9H2,1-2H3
InChIKeyBDHNPQBABBNTNE-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol (CID 11514644) is 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol is CCCCC(O)(c1ccc(Cl)cc1)c1nccn1C.
What is the InChIKey of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
The InChIKey is BDHNPQBABBNTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-3-4-9-15(19,14-17-10-11-18(14)2)12-5-7-13(16)8-6-12/h5-8,10-11,19H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol?
1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol has a molecular weight of 278.78 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(1-methylimidazol-2-yl)pentan-1-ol is sourced from PubChem (CID 11514644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).