N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

C24H38N4 — CID 26400256

IUPACN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCc1nc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c(C)[nH]1
InChIInChI=1S/C24H38N4/c1-5-24-25-20(4)23(26-24)18-27(6-2)17-21-11-14-28(15-12-21)16-13-22-10-8-7-9-19(22)3/h7-10,21H,5-6,11-18H2,1-4H3,(H,25,26)
InChIKeyJBWHBMBNQPXAED-UHFFFAOYSA-N
MW382.60 g/mol
LogP4.37
Rot. Bonds9

About N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine

N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (PubChem CID 26400256) has the molecular formula C24H38N4 and a molecular weight of 382.60 g/mol. Its IUPAC name is N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
PubChem CID26400256
Molecular FormulaC24H38N4
Molecular Weight382.60 g/mol
Exact Mass382.31
IUPAC NameN-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
SMILESCCc1nc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c(C)[nH]1
InChIInChI=1S/C24H38N4/c1-5-24-25-20(4)23(26-24)18-27(6-2)17-21-11-14-28(15-12-21)16-13-22-10-8-7-9-19(22)3/h7-10,21H,5-6,11-18H2,1-4H3,(H,25,26)
InChIKeyJBWHBMBNQPXAED-UHFFFAOYSA-N
XLogP4.37
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.60
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42519849
N-[(2-methyl-1H-imidazol-5-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42520717
4-[[ethyl-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]amino]methyl]phenol
CID 42566598
N-(furan-3-ylmethyl)-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26331444
N-[(1-methylbenzimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 42462769
N-[(1-ethylimidazol-2-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 26396674
N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-N-[(5-methyl-1-propylpyrazol-4-yl)methyl]ethanamine
CID 25379756
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylethanamine
CID 45223480
N-ethyl-2-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-1H-pyrrole-3-carboxamide
CID 72935541
N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]-2-pyridin-4-ylacetamide
CID 42454883
2-(3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]acetamide
CID 25385810
N-cyclopentyl-3-ethyl-1-methyl-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]pyrazole-5-carboxamide
CID 42508337

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine (CID 26400256) is N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is CCc1nc(CN(CC)CC2CCN(CCc3ccccc3C)CC2)c(C)[nH]1.
What is the InChIKey of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
The InChIKey is JBWHBMBNQPXAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4/c1-5-24-25-20(4)23(26-24)18-27(6-2)17-21-11-14-28(15-12-21)16-13-22-10-8-7-9-19(22)3/h7-10,21H,5-6,11-18H2,1-4H3,(H,25,26).
What are the key properties of N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine?
N-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]-N-[[1-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine has a molecular weight of 382.60 g/mol, XLogP of 4.37, 9 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-[2-(2-methylphenyl)ethyl]piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 26400256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).