N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine

C22H34N4 — CID 45223480

IUPACN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine
SMILESCCc1nc(CN(CCc2ccccc2)CC2CCCN(C)C2)c(C)[nH]1
InChIInChI=1S/C22H34N4/c1-4-22-23-18(2)21(24-22)17-26(14-12-19-9-6-5-7-10-19)16-20-11-8-13-25(3)15-20/h5-7,9-10,20H,4,8,11-17H2,1-3H3,(H,23,24)
InChIKeyWIQQJIQIGZNCAQ-UHFFFAOYSA-N
MW354.54 g/mol
LogP3.67
Rot. Bonds8

About N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine

N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine (PubChem CID 45223480) has the molecular formula C22H34N4 and a molecular weight of 354.54 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine
PubChem CID45223480
Molecular FormulaC22H34N4
Molecular Weight354.54 g/mol
Exact Mass354.28
IUPAC NameN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine
SMILESCCc1nc(CN(CCc2ccccc2)CC2CCCN(C)C2)c(C)[nH]1
InChIInChI=1S/C22H34N4/c1-4-22-23-18(2)21(24-22)17-26(14-12-19-9-6-5-7-10-19)16-20-11-8-13-25(3)15-20/h5-7,9-10,20H,4,8,11-17H2,1-3H3,(H,23,24)
InChIKeyWIQQJIQIGZNCAQ-UHFFFAOYSA-N
XLogP3.67
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine 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-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine?
The IUPAC name of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine (CID 45223480) is N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine.
What is the SMILES notation for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine?
The canonical SMILES for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine is CCc1nc(CN(CCc2ccccc2)CC2CCCN(C)C2)c(C)[nH]1.
What is the InChIKey of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine?
The InChIKey is WIQQJIQIGZNCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4/c1-4-22-23-18(2)21(24-22)17-26(14-12-19-9-6-5-7-10-19)16-20-11-8-13-25(3)15-20/h5-7,9-10,20H,4,8,11-17H2,1-3H3,(H,23,24).
What are the key properties of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine?
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine has a molecular weight of 354.54 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine is sourced from PubChem (CID 45223480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).