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

C21H32N4O2S — CID 121472701

IUPAC1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(CC3CC3C)CC2)cc1
InChIInChI=1S/C21H32N4O2S/c1-16(2)18-4-6-20(7-5-18)28(26,27)25-9-8-22-21(25)24-12-10-23(11-13-24)15-19-14-17(19)3/h4-7,16-17,19H,8-15H2,1-3H3
InChIKeyUEWQHIVQLKUUQX-UHFFFAOYSA-N
MW404.58 g/mol
LogP2.44
Rot. Bonds5

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

1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (PubChem CID 121472701) has the molecular formula C21H32N4O2S and a molecular weight of 404.58 g/mol. Its IUPAC name is 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.

Molecular Properties

Compound Name1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
PubChem CID121472701
Molecular FormulaC21H32N4O2S
Molecular Weight404.58 g/mol
Exact Mass404.22
IUPAC Name1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine
SMILESCC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(CC3CC3C)CC2)cc1
InChIInChI=1S/C21H32N4O2S/c1-16(2)18-4-6-20(7-5-18)28(26,27)25-9-8-22-21(25)24-12-10-23(11-13-24)15-19-14-17(19)3/h4-7,16-17,19H,8-15H2,1-3H3
InChIKeyUEWQHIVQLKUUQX-UHFFFAOYSA-N
XLogP2.44
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine 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-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The IUPAC name of 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine (CID 121472701) is 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine.
What is the SMILES notation for 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The canonical SMILES for 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is CC(C)c1ccc(S(=O)(=O)N2CCN=C2N2CCN(CC3CC3C)CC2)cc1.
What is the InChIKey of 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
The InChIKey is UEWQHIVQLKUUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2S/c1-16(2)18-4-6-20(7-5-18)28(26,27)25-9-8-22-21(25)24-12-10-23(11-13-24)15-19-14-17(19)3/h4-7,16-17,19H,8-15H2,1-3H3.
What are the key properties of 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine?
1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine has a molecular weight of 404.58 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclopropyl)methyl]-4-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]piperazine is sourced from PubChem (CID 121472701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).