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

C17H24ClN3O3S — CID 42197256

IUPAC1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2Cl)n1CCOC
InChIInChI=1S/C17H24ClN3O3S/c1-4-25(22,23)17-19-11-15(21(17)9-10-24-3)13-20(2)12-14-7-5-6-8-16(14)18/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyBBKHUKQMSVREMN-UHFFFAOYSA-N
MW385.92 g/mol
LogP2.61
Rot. Bonds9

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

1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine (PubChem CID 42197256) has the molecular formula C17H24ClN3O3S and a molecular weight of 385.92 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine
PubChem CID42197256
Molecular FormulaC17H24ClN3O3S
Molecular Weight385.92 g/mol
Exact Mass385.12
IUPAC Name1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2Cl)n1CCOC
InChIInChI=1S/C17H24ClN3O3S/c1-4-25(22,23)17-19-11-15(21(17)9-10-24-3)13-20(2)12-14-7-5-6-8-16(14)18/h5-8,11H,4,9-10,12-13H2,1-3H3
InChIKeyBBKHUKQMSVREMN-UHFFFAOYSA-N
XLogP2.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine (CID 42197256) is 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine is CCS(=O)(=O)c1ncc(CN(C)Cc2ccccc2Cl)n1CCOC.
What is the InChIKey of 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
The InChIKey is BBKHUKQMSVREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3S/c1-4-25(22,23)17-19-11-15(21(17)9-10-24-3)13-20(2)12-14-7-5-6-8-16(14)18/h5-8,11H,4,9-10,12-13H2,1-3H3.
What are the key properties of 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine?
1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine has a molecular weight of 385.92 g/mol, XLogP of 2.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methylmethanamine is sourced from PubChem (CID 42197256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).