1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine

C19H29N3O3S — CID 42528686

IUPAC1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC)n2CCOC)cc1
InChIInChI=1S/C19H29N3O3S/c1-5-16-7-9-17(10-8-16)14-21(3)15-18-13-20-19(26(23,24)6-2)22(18)11-12-25-4/h7-10,13H,5-6,11-12,14-15H2,1-4H3
InChIKeyIGLPHYFCCSWNOM-UHFFFAOYSA-N
MW379.53 g/mol
LogP2.52
Rot. Bonds10

About 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine

1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 42528686) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine
PubChem CID42528686
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine
SMILESCCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC)n2CCOC)cc1
InChIInChI=1S/C19H29N3O3S/c1-5-16-7-9-17(10-8-16)14-21(3)15-18-13-20-19(26(23,24)6-2)22(18)11-12-25-4/h7-10,13H,5-6,11-12,14-15H2,1-4H3
InChIKeyIGLPHYFCCSWNOM-UHFFFAOYSA-N
XLogP2.52
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine with MolForge

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Related Compounds

(3-Benzyl-2-prop-2-enylsulfanylimidazol-4-yl)methanol
CID 3849965
2-Benzyl-4-(2-methylpropyl)-1,4-dihydroimidazo[5,1-d][1,2,5]thiadiazine 3,3-dioxide
CID 49862548
[2-(ethylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methanol
CID 6460483
Sdccgsbi-0115203.P001
CID 28133346
(4-fluorobenzyl)methyl{[2-(methylsulfonyl)-1-(3-phenylpropyl)-1H-imidazol-5-yl]methyl}amine
CID 42596199
3-[(1-Methyl-4,5-diphenylimidazol-2-yl)sulfonylmethyl]pyridine
CID 72164161
({1-benzyl-2-[(2-methoxyethyl)sulfonyl]-1H-imidazol-5-yl}methyl)isobutyl(methyl)amine
CID 26406980
4-{[2-(ethylsulfonyl)-1-(3-phenylpropyl)-1H-imidazol-5-yl]methyl}morpholine
CID 28359976
4-{[2-(ethylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}thiomorpholine
CID 28405899
1-{[2-(ethylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methyl}-4-methylpiperazine
CID 29086896
N-{[1-(2-fluorobenzyl)-2-(methylsulfonyl)-1H-imidazol-5-yl]methyl}-N-methyl-2-phenylethanamine
CID 29150766
(2-chlorobenzyl){[2-(ethylsulfonyl)-1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}methylamine
CID 42197256

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine (CID 42528686) is 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine is CCc1ccc(CN(C)Cc2cnc(S(=O)(=O)CC)n2CCOC)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is IGLPHYFCCSWNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-5-16-7-9-17(10-8-16)14-21(3)15-18-13-20-19(26(23,24)6-2)22(18)11-12-25-4/h7-10,13H,5-6,11-12,14-15H2,1-4H3.
What are the key properties of 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 379.53 g/mol, XLogP of 2.52, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 42528686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).