4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine

C18H34N4O3S — CID 45173309

IUPAC4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine
SMILESCOCCn1c(CN2CCN(C)C(C)C2)cnc1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C18H34N4O3S/c1-15-12-21(8-7-20(15)5)13-16-11-19-17(22(16)9-10-25-6)26(23,24)14-18(2,3)4/h11,15H,7-10,12-14H2,1-6H3
InChIKeyDKWUMIRHPFKFNW-UHFFFAOYSA-N
MW386.56 g/mol
LogP1.49
Rot. Bonds7

About 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine

4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine (PubChem CID 45173309) has the molecular formula C18H34N4O3S and a molecular weight of 386.56 g/mol. Its IUPAC name is 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine
PubChem CID45173309
Molecular FormulaC18H34N4O3S
Molecular Weight386.56 g/mol
Exact Mass386.24
IUPAC Name4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine
SMILESCOCCn1c(CN2CCN(C)C(C)C2)cnc1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C18H34N4O3S/c1-15-12-21(8-7-20(15)5)13-16-11-19-17(22(16)9-10-25-6)26(23,24)14-18(2,3)4/h11,15H,7-10,12-14H2,1-6H3
InChIKeyDKWUMIRHPFKFNW-UHFFFAOYSA-N
XLogP1.49
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 26399203
4-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 30852802
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methylethanamine
CID 42289096
2-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1,2-oxazinane
CID 42517541
4-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}morpholine
CID 45185543
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 45207185
4-methyl-1-{[2-(propylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}piperidine
CID 45210739
1-{[2-(cyclopentylsulfonyl)-1-(3-methoxypropyl)-1H-imidazol-5-yl]methyl}-3-piperidinol
CID 45216916
1-{[2-[(cyclopropylmethyl)sulfonyl]-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperidine
CID 45239287
N-{[2-[(cyclohexylmethyl)sulfonyl]-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-2-propyn-1-yl-2-propen-1-amine
CID 28389274
Sdccgsbi-0114825.P001
CID 28394144
N-{[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine
CID 42513639

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine?
The IUPAC name of 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine (CID 45173309) is 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine.
What is the SMILES notation for 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine?
The canonical SMILES for 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine is COCCn1c(CN2CCN(C)C(C)C2)cnc1S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine?
The InChIKey is DKWUMIRHPFKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O3S/c1-15-12-21(8-7-20(15)5)13-16-11-19-17(22(16)9-10-25-6)26(23,24)14-18(2,3)4/h11,15H,7-10,12-14H2,1-6H3.
What are the key properties of 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine?
4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine has a molecular weight of 386.56 g/mol, XLogP of 1.49, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)imidazol-4-yl]methyl]-1,2-dimethylpiperazine is sourced from PubChem (CID 45173309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).