N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C22H31N5O2S — CID 25286799

IUPACN-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1
InChIInChI=1S/C22H31N5O2S/c1-5-26(14-20-11-24-25(4)13-20)16-21-12-23-22(30(28,29)17-18(2)3)27(21)15-19-9-7-6-8-10-19/h6-13,18H,5,14-17H2,1-4H3
InChIKeyHSOOQUBTIQXQRP-UHFFFAOYSA-N
MW429.59 g/mol
LogP3.12
Rot. Bonds10

About N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 25286799) has the molecular formula C22H31N5O2S and a molecular weight of 429.59 g/mol. Its IUPAC name is N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID25286799
Molecular FormulaC22H31N5O2S
Molecular Weight429.59 g/mol
Exact Mass429.22
IUPAC NameN-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1
InChIInChI=1S/C22H31N5O2S/c1-5-26(14-20-11-24-25(4)13-20)16-21-12-23-22(30(28,29)17-18(2)3)27(21)15-19-9-7-6-8-10-19/h6-13,18H,5,14-17H2,1-4H3
InChIKeyHSOOQUBTIQXQRP-UHFFFAOYSA-N
XLogP3.12
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine 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-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 25286799) is N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CCN(Cc1cnn(C)c1)Cc1cnc(S(=O)(=O)CC(C)C)n1Cc1ccccc1.
What is the InChIKey of N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is HSOOQUBTIQXQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2S/c1-5-26(14-20-11-24-25(4)13-20)16-21-12-23-22(30(28,29)17-18(2)3)27(21)15-19-9-7-6-8-10-19/h6-13,18H,5,14-17H2,1-4H3.
What are the key properties of N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 429.59 g/mol, XLogP of 3.12, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 25286799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).