2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine

C18H29N5O3S — CID 45179739

IUPAC2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine
SMILESCCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2)n1CC1CCCO1
InChIInChI=1S/C18H29N5O3S/c1-3-11-27(24,25)18-20-12-16(23(18)14-17-5-4-10-26-17)13-21(2)8-9-22-7-6-19-15-22/h6-7,12,15,17H,3-5,8-11,13-14H2,1-2H3
InChIKeyBXKQEYSKIDEIJD-UHFFFAOYSA-N
MW395.53 g/mol
LogP1.57
Rot. Bonds10

About 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine

2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine (PubChem CID 45179739) has the molecular formula C18H29N5O3S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine
PubChem CID45179739
Molecular FormulaC18H29N5O3S
Molecular Weight395.53 g/mol
Exact Mass395.20
IUPAC Name2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine
SMILESCCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2)n1CC1CCCO1
InChIInChI=1S/C18H29N5O3S/c1-3-11-27(24,25)18-20-12-16(23(18)14-17-5-4-10-26-17)13-21(2)8-9-22-7-6-19-15-22/h6-7,12,15,17H,3-5,8-11,13-14H2,1-2H3
InChIKeyBXKQEYSKIDEIJD-UHFFFAOYSA-N
XLogP1.57
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine with MolForge

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Related Compounds

N-methyl-2-(oxan-4-yl)-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine
CID 45212708
methyl 2-[methyl-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]amino]acetate
CID 45247932
N-methyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-2-piperidin-1-ylethanamine
CID 45208091
N,N,N'-triethyl-N'-[[2-methylsulfonyl-3-[[(2R)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]ethane-1,2-diamine
CID 29023879
N-methyl-N-[[2-methylsulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-2-(oxan-4-yl)ethanamine
CID 45236170
N-[[2-(cyclopropylmethylsulfonyl)-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-N-methyl-1-phenylmethanamine
CID 42591991
N-[[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]-N-ethyl-2-pyrrolidin-1-ylethanamine
CID 45243274
4-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]-1,4-diazepane-1-carbaldehyde
CID 45201547
N-methyl-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
CID 28849513
1-[2-(cyclopropylmethylsulfonyl)-3-(oxolan-2-ylmethyl)imidazol-4-yl]-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 45177260
N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 42591240
N-(cyclopropylmethyl)-N-[[2-methylsulfonyl-3-[[(2S)-oxolan-2-yl]methyl]imidazol-4-yl]methyl]propan-1-amine
CID 42094319

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine?
The IUPAC name of 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine (CID 45179739) is 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine?
The canonical SMILES for 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine is CCCS(=O)(=O)c1ncc(CN(C)CCn2ccnc2)n1CC1CCCO1.
What is the InChIKey of 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine?
The InChIKey is BXKQEYSKIDEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3S/c1-3-11-27(24,25)18-20-12-16(23(18)14-17-5-4-10-26-17)13-21(2)8-9-22-7-6-19-15-22/h6-7,12,15,17H,3-5,8-11,13-14H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine?
2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine has a molecular weight of 395.53 g/mol, XLogP of 1.57, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-methyl-N-[[3-(oxolan-2-ylmethyl)-2-propylsulfonylimidazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 45179739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).