1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C19H25N5O2S — CID 56707479

IUPAC1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1Cc1ccccc1
InChIInChI=1S/C19H25N5O2S/c1-4-27(25,26)19-20-11-18(24(19)14-16-8-6-5-7-9-16)15-22(2)12-17-10-21-23(3)13-17/h5-11,13H,4,12,14-15H2,1-3H3
InChIKeyIWBZVWOKIYPGAY-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.09
Rot. Bonds8

About 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 56707479) has the molecular formula C19H25N5O2S and a molecular weight of 387.51 g/mol. Its IUPAC name is 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID56707479
Molecular FormulaC19H25N5O2S
Molecular Weight387.51 g/mol
Exact Mass387.17
IUPAC Name1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCCS(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1Cc1ccccc1
InChIInChI=1S/C19H25N5O2S/c1-4-27(25,26)19-20-11-18(24(19)14-16-8-6-5-7-9-16)15-22(2)12-17-10-21-23(3)13-17/h5-11,13H,4,12,14-15H2,1-3H3
InChIKeyIWBZVWOKIYPGAY-UHFFFAOYSA-N
XLogP2.09
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-1-(5-ethyl-2-pyridinyl)-N-methylmethanamine
CID 42510853
N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 25286799
N-[(3-benzyl-2-ethylsulfonylimidazol-4-yl)methyl]-N-methyl-1-quinolin-6-ylmethanamine
CID 56706988
2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103
N-[(1-benzyltetrazol-5-yl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 33091887
N-[[3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl]-N-methylcyclohexanamine
CID 25285953
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 42290723
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
N-[[3-(cyclohexylmethyl)-2-(cyclopropylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 30852124
N-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-N-methyl-1-phenylmethanamine
CID 42591991
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 22196071
N-[[2-ethylsulfonyl-3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-methyl-1-quinolin-4-ylmethanamine
CID 42596202

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 56707479) is 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is CCS(=O)(=O)c1ncc(CN(C)Cc2cnn(C)c2)n1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is IWBZVWOKIYPGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2S/c1-4-27(25,26)19-20-11-18(24(19)14-16-8-6-5-7-9-16)15-22(2)12-17-10-21-23(3)13-17/h5-11,13H,4,12,14-15H2,1-3H3.
What are the key properties of 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 387.51 g/mol, XLogP of 2.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-ethylsulfonylimidazol-4-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 56707479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).