1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile

C23H28N6OS — CID 145118389

IUPAC1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile
SMILESC#N.O=S(c1ccc(-c2ccccn2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H27N5OS.CHN/c28-29(20-9-7-18(8-10-20)21-6-1-2-11-23-21)27-13-12-24-22(27)26-16-14-25(15-17-26)19-4-3-5-19;1-2/h1-2,6-11,19H,3-5,12-17H2;1H
InChIKeyIWFQXZAMFVRVCP-UHFFFAOYSA-N
MW436.59 g/mol
LogP2.75
Rot. Bonds4

About 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile

1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile (PubChem CID 145118389) has the molecular formula C23H28N6OS and a molecular weight of 436.59 g/mol. Its IUPAC name is 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile.

Molecular Properties

Compound Name1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile
PubChem CID145118389
Molecular FormulaC23H28N6OS
Molecular Weight436.59 g/mol
Exact Mass436.20
IUPAC Name1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile
SMILESC#N.O=S(c1ccc(-c2ccccn2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1
InChIInChI=1S/C22H27N5OS.CHN/c28-29(20-9-7-18(8-10-20)21-6-1-2-11-23-21)27-13-12-24-22(27)26-16-14-25(15-17-26)19-4-3-5-19;1-2/h1-2,6-11,19H,3-5,12-17H2;1H
InChIKeyIWFQXZAMFVRVCP-UHFFFAOYSA-N
XLogP2.75
TPSA75.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile?
The IUPAC name of 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile (CID 145118389) is 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile.
What is the SMILES notation for 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile?
The canonical SMILES for 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile is C#N.O=S(c1ccc(-c2ccccn2)cc1)N1CCN=C1N1CCN(C2CCC2)CC1.
What is the InChIKey of 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile?
The InChIKey is IWFQXZAMFVRVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5OS.CHN/c28-29(20-9-7-18(8-10-20)21-6-1-2-11-23-21)27-13-12-24-22(27)26-16-14-25(15-17-26)19-4-3-5-19;1-2/h1-2,6-11,19H,3-5,12-17H2;1H.
What are the key properties of 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile?
1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile has a molecular weight of 436.59 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile is sourced from PubChem (CID 145118389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).