3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol

C15H19ClN2O — CID 22762962

IUPAC3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
SMILESCCC(O)(CCCn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c1-2-15(19,13-4-6-14(16)7-5-13)8-3-10-18-11-9-17-12-18/h4-7,9,11-12,19H,2-3,8,10H2,1H3
InChIKeyAPPQXTRQJKGHOK-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.61
Rot. Bonds6

About 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol

3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol (PubChem CID 22762962) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
PubChem CID22762962
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol
SMILESCCC(O)(CCCn1ccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O/c1-2-15(19,13-4-6-14(16)7-5-13)8-3-10-18-11-9-17-12-18/h4-7,9,11-12,19H,2-3,8,10H2,1H3
InChIKeyAPPQXTRQJKGHOK-UHFFFAOYSA-N
XLogP3.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol?
The IUPAC name of 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol (CID 22762962) is 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol.
What is the SMILES notation for 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol?
The canonical SMILES for 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol is CCC(O)(CCCn1ccnc1)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol?
The InChIKey is APPQXTRQJKGHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-15(19,13-4-6-14(16)7-5-13)8-3-10-18-11-9-17-12-18/h4-7,9,11-12,19H,2-3,8,10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol?
3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol has a molecular weight of 278.78 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-imidazol-1-ylhexan-3-ol is sourced from PubChem (CID 22762962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).