N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine

C21H27N3O3S — CID 25280780

IUPACN-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)o1
InChIInChI=1S/C21H27N3O3S/c1-17-11-12-20(27-17)16-23(2)15-19-14-22-21(28(3,25)26)24(19)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3
InChIKeyABCDVWTWOTTYNH-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.45
Rot. Bonds9

About N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine

N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine (PubChem CID 25280780) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine
PubChem CID25280780
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine
SMILESCc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)o1
InChIInChI=1S/C21H27N3O3S/c1-17-11-12-20(27-17)16-23(2)15-19-14-22-21(28(3,25)26)24(19)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3
InChIKeyABCDVWTWOTTYNH-UHFFFAOYSA-N
XLogP3.45
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine?
The IUPAC name of N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine (CID 25280780) is N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine.
What is the SMILES notation for N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine?
The canonical SMILES for N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine is Cc1ccc(CN(C)Cc2cnc(S(C)(=O)=O)n2CCCc2ccccc2)o1.
What is the InChIKey of N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine?
The InChIKey is ABCDVWTWOTTYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-17-11-12-20(27-17)16-23(2)15-19-14-22-21(28(3,25)26)24(19)13-7-10-18-8-5-4-6-9-18/h4-6,8-9,11-12,14H,7,10,13,15-16H2,1-3H3.
What are the key properties of N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine?
N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine has a molecular weight of 401.53 g/mol, XLogP of 3.45, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine is sourced from PubChem (CID 25280780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).