1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

C20H30N4O2S — CID 121477768

IUPAC1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-16(2)18-5-7-19(8-6-18)27(25,26)24-10-9-21-20(24)23-13-11-22(12-14-23)15-17-3-4-17/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyGHFDCVAGNWZUIO-UHFFFAOYSA-N
MW390.55 g/mol
LogP2.20
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine

1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121477768) has the molecular formula C20H30N4O2S and a molecular weight of 390.55 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121477768
Molecular FormulaC20H30N4O2S
Molecular Weight390.55 g/mol
Exact Mass390.21
IUPAC Name1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C20H30N4O2S/c1-16(2)18-5-7-19(8-6-18)27(25,26)24-10-9-21-20(24)23-13-11-22(12-14-23)15-17-3-4-17/h5-8,16-17H,3-4,9-15H2,1-2H3
InChIKeyGHFDCVAGNWZUIO-UHFFFAOYSA-N
XLogP2.20
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.55
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121477768) is 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is GHFDCVAGNWZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S/c1-16(2)18-5-7-19(8-6-18)27(25,26)24-10-9-21-20(24)23-13-11-22(12-14-23)15-17-3-4-17/h5-8,16-17H,3-4,9-15H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 390.55 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121477768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).