2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol

C19H27ClN2OS — CID 24839002

IUPAC2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol
SMILESCCCCCCCSCC(O)(Cn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2OS/c1-2-3-4-5-8-13-24-15-19(23,14-22-12-11-21-16-22)17-9-6-7-10-18(17)20/h6-7,9-12,16,23H,2-5,8,13-15H2,1H3
InChIKeyAZUYVBDRBXNVSA-UHFFFAOYSA-N
MW366.96 g/mol
LogP5.13
Rot. Bonds11

About 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol

2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol (PubChem CID 24839002) has the molecular formula C19H27ClN2OS and a molecular weight of 366.96 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol
PubChem CID24839002
Molecular FormulaC19H27ClN2OS
Molecular Weight366.96 g/mol
Exact Mass366.15
IUPAC Name2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol
SMILESCCCCCCCSCC(O)(Cn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C19H27ClN2OS/c1-2-3-4-5-8-13-24-15-19(23,14-22-12-11-21-16-22)17-9-6-7-10-18(17)20/h6-7,9-12,16,23H,2-5,8,13-15H2,1H3
InChIKeyAZUYVBDRBXNVSA-UHFFFAOYSA-N
XLogP5.13
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.96
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-butylsulfanyl-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol;hydrochloride
CID 70472519
2-(2,3-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enylsulfanylpropan-2-ol
CID 70417205
1-(2-heptylsulfanyl-2-phenylethyl)imidazole
CID 21402516
1-(3-dodecylsulfanyl-2-phenylsulfanylpropyl)imidazole
CID 21423844
1-[(E)-2-heptylsulfanyl-4-phenylbut-3-enyl]imidazole
CID 21415391
1-[2-(2,4-dichlorophenyl)sulfanyl-2-methylhexyl]imidazole
CID 20512684
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-4-methylpentan-2-ol
CID 13058890
1-[2-[(4-chlorophenyl)methylsulfanyl]-3-hexylsulfanylpropyl]imidazole
CID 54114920
(2R)-1-imidazol-1-yl-4,4-dimethyl-2-pyridin-2-ylpentan-2-ol
CID 27876382
1-(3-benzylsulfanyl-2-octylsulfanylpropyl)imidazole
CID 21423847
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-1-phenylethanol
CID 13269114
1-(benzylamino)-2-(2,4-dichlorophenyl)-3-imidazol-1-ylpropan-2-ol
CID 3068301

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol (CID 24839002) is 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol is CCCCCCCSCC(O)(Cn1ccnc1)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol?
The InChIKey is AZUYVBDRBXNVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2OS/c1-2-3-4-5-8-13-24-15-19(23,14-22-12-11-21-16-22)17-9-6-7-10-18(17)20/h6-7,9-12,16,23H,2-5,8,13-15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol?
2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol has a molecular weight of 366.96 g/mol, XLogP of 5.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-heptylsulfanyl-3-imidazol-1-ylpropan-2-ol is sourced from PubChem (CID 24839002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).