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

C19H30N4O2S — CID 121472725

IUPAC1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine
SMILESCCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2S/c1-4-10-21-12-14-22(15-13-21)19-20-9-11-23(19)26(24,25)18-7-5-17(6-8-18)16(2)3/h5-8,16H,4,9-15H2,1-3H3
InChIKeyFCOCITCFJQMSBM-UHFFFAOYSA-N
MW378.54 g/mol
LogP2.20
Rot. Bonds5

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

1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine (PubChem CID 121472725) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine.

Molecular Properties

Compound Name1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine
PubChem CID121472725
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine
SMILESCCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1
InChIInChI=1S/C19H30N4O2S/c1-4-10-21-12-14-22(15-13-21)19-20-9-11-23(19)26(24,25)18-7-5-17(6-8-18)16(2)3/h5-8,16H,4,9-15H2,1-3H3
InChIKeyFCOCITCFJQMSBM-UHFFFAOYSA-N
XLogP2.20
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

US10202354, Example 12
CID 121477799
US10202354, Example 4
CID 121477803
US10202354, Example 40
CID 121477818
US10202354, Example 11
CID 121477848
US10202354, Example 26
CID 121477853
US10202354, Example 27
CID 121477855
US10202354, Example 25
CID 121477857
CID 16300640
CID 16300640
4-methyl-N-(2-(3-methylphenylsulfonamido)ethyl)piperidine-1-carboximidamide
CID 45272864
N-(2-(3-methylphenylsulfonamido)ethyl)-4-phenylpiperidine-1-carboximidamide
CID 45273807
4-Methyl-N-(5-propyl-1,4,5,6-tetrahydro-[1,3,5]triazin-2-yl)-benzenesulfonamide
CID 6496896
US10202354, Example 98
CID 121477833

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine?
The IUPAC name of 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine (CID 121472725) is 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine.
What is the SMILES notation for 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine?
The canonical SMILES for 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine is CCCN1CCN(C2=NCCN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1.
What is the InChIKey of 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine?
The InChIKey is FCOCITCFJQMSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-4-10-21-12-14-22(15-13-21)19-20-9-11-23(19)26(24,25)18-7-5-17(6-8-18)16(2)3/h5-8,16H,4,9-15H2,1-3H3.
What are the key properties of 1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine?
1-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine has a molecular weight of 378.54 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-[1-(4-propan-2-ylphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-propylpiperazine is sourced from PubChem (CID 121472725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).