1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide

C20H25N7O2S — CID 122299488

IUPAC1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)nc1C
InChIInChI=1S/C20H25N7O2S/c1-3-25-15-19(23-16(25)2)30(28,29)24-17-13-21-20(22-14-17)27-11-9-26(10-12-27)18-7-5-4-6-8-18/h4-8,13-15,24H,3,9-12H2,1-2H3
InChIKeyFXFHDKFZCAPRCM-UHFFFAOYSA-N
MW427.53 g/mol
LogP2.13
Rot. Bonds6

About 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide

1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide (PubChem CID 122299488) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
PubChem CID122299488
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)nc1C
InChIInChI=1S/C20H25N7O2S/c1-3-25-15-19(23-16(25)2)30(28,29)24-17-13-21-20(22-14-17)27-11-9-26(10-12-27)18-7-5-4-6-8-18/h4-8,13-15,24H,3,9-12H2,1-2H3
InChIKeyFXFHDKFZCAPRCM-UHFFFAOYSA-N
XLogP2.13
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-ethyl-2-methyl-N-[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide
CID 122299919
4-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 91968264
3,5-difluoro-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 122299454
2-phenoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]ethanesulfonamide
CID 122299471
1-ethyl-2-methyl-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]imidazole-4-sulfonamide
CID 122286504
N-(2-acetylphenyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 62064796
1-ethyl-2-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]imidazole-4-sulfonamide
CID 75396743
N-(2-bromo-2-phenylethyl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 114295509
1-ethyl-N-[2-(2-fluorophenoxy)-4,6-dimethylpyrimidin-5-yl]-2-methylimidazole-4-sulfonamide
CID 122303539
5-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine
CID 30182677
N-(1H-benzimidazol-2-yl)-1-ethyl-2-methylimidazole-4-sulfonamide
CID 63563710
N-cyclopentyl-1-ethyl-2-methylimidazole-4-sulfonamide
CID 64591191

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The IUPAC name of 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide (CID 122299488) is 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)nc1C.
What is the InChIKey of 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
The InChIKey is FXFHDKFZCAPRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-3-25-15-19(23-16(25)2)30(28,29)24-17-13-21-20(22-14-17)27-11-9-26(10-12-27)18-7-5-4-6-8-18/h4-8,13-15,24H,3,9-12H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide?
1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide has a molecular weight of 427.53 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]imidazole-4-sulfonamide is sourced from PubChem (CID 122299488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).