1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol

C19H26ClN3O — CID 86794460

IUPAC1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol
SMILESCC(CNC1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1
InChIInChI=1S/C19H26ClN3O/c1-15(13-23-10-9-21-14-23)12-22-18-5-7-19(24,8-6-18)16-3-2-4-17(20)11-16/h2-4,9-11,14-15,18,22,24H,5-8,12-13H2,1H3
InChIKeyDGONOUVGASOPPI-UHFFFAOYSA-N
MW347.89 g/mol
LogP3.59
Rot. Bonds6

About 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol

1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol (PubChem CID 86794460) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol
PubChem CID86794460
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol
SMILESCC(CNC1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1
InChIInChI=1S/C19H26ClN3O/c1-15(13-23-10-9-21-14-23)12-22-18-5-7-19(24,8-6-18)16-3-2-4-17(20)11-16/h2-4,9-11,14-15,18,22,24H,5-8,12-13H2,1H3
InChIKeyDGONOUVGASOPPI-UHFFFAOYSA-N
XLogP3.59
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol (CID 86794460) is 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol is CC(CNC1CCC(O)(c2cccc(Cl)c2)CC1)Cn1ccnc1.
What is the InChIKey of 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol?
The InChIKey is DGONOUVGASOPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-15(13-23-10-9-21-14-23)12-22-18-5-7-19(24,8-6-18)16-3-2-4-17(20)11-16/h2-4,9-11,14-15,18,22,24H,5-8,12-13H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol?
1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol has a molecular weight of 347.89 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-[(3-imidazol-1-yl-2-methylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 86794460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).