N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine

C20H23FN4 — CID 167868362

IUPACN-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1nc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c(C)[nH]1
InChIInChI=1S/C20H23FN4/c1-15-20(24-16(2)23-15)14-25(12-10-19-5-3-4-11-22-19)13-17-6-8-18(21)9-7-17/h3-9,11H,10,12-14H2,1-2H3,(H,23,24)
InChIKeyQPESEXZIKRLUJG-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.81
Rot. Bonds7

About N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine

N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 167868362) has the molecular formula C20H23FN4 and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID167868362
Molecular FormulaC20H23FN4
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC NameN-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCc1nc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c(C)[nH]1
InChIInChI=1S/C20H23FN4/c1-15-20(24-16(2)23-15)14-25(12-10-19-5-3-4-11-22-19)13-17-6-8-18(21)9-7-17/h3-9,11H,10,12-14H2,1-2H3,(H,23,24)
InChIKeyQPESEXZIKRLUJG-UHFFFAOYSA-N
XLogP3.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine with MolForge

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Related Compounds

2,3-dichloro-N-[(4-fluorophenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-en-1-amine
CID 71866080
N-[(4-fluorophenyl)methyl]-N-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 52886697
N-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine
CID 19046925
2-(4-methylphenyl)-N,N-bis(pyridin-2-ylmethyl)ethanamine
CID 144884135
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
N-[(4-fluorophenyl)methyl]-2-(methylamino)-N-(2-pyridin-2-ylethyl)acetamide
CID 119875097
N-benzyl-N-(2-chloroethyl)-2-pyridin-2-ylethanamine;hydrochloride
CID 3053599
N-[[5-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]-2-pyridin-2-yl-N-(2-pyridin-2-ylethyl)ethanamine
CID 101335299
N-methyl-2-pyridin-2-yl-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103438267
N'-benzyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 107367067
6-[(4-fluorophenyl)methyl-(2-pyridin-2-ylethyl)amino]pyridine-3-carbonitrile
CID 133384302
N-methyl-N-[[4-(methylaminomethyl)phenyl]methyl]-2-pyridin-2-ylethanamine
CID 62419205

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine (CID 167868362) is N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine is Cc1nc(CN(CCc2ccccn2)Cc2ccc(F)cc2)c(C)[nH]1.
What is the InChIKey of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is QPESEXZIKRLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4/c1-15-20(24-16(2)23-15)14-25(12-10-19-5-3-4-11-22-19)13-17-6-8-18(21)9-7-17/h3-9,11H,10,12-14H2,1-2H3,(H,23,24).
What are the key properties of N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 338.43 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1H-imidazol-4-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 167868362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).