1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

C18H23N5O — CID 75427713

IUPAC1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C)c1)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C18H23N5O/c1-14(20-10-15-11-21-23(3)12-15)16-4-6-17(7-5-16)24-13-18-19-8-9-22(18)2/h4-9,11-12,14,20H,10,13H2,1-3H3
InChIKeyAZBLZNKFGBTGKJ-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.58
Rot. Bonds7

About 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine

1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 75427713) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID75427713
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCC(NCc1cnn(C)c1)c1ccc(OCc2nccn2C)cc1
InChIInChI=1S/C18H23N5O/c1-14(20-10-15-11-21-23(3)12-15)16-4-6-17(7-5-16)24-13-18-19-8-9-22(18)2/h4-9,11-12,14,20H,10,13H2,1-3H3
InChIKeyAZBLZNKFGBTGKJ-UHFFFAOYSA-N
XLogP2.58
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethyl]propan-1-amine
CID 60880817
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
1-(4-butylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 61351168
(2R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290592
(2R,3R)-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276258
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
N-methyl-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methanamine
CID 60880617
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
N-ethyl-1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 62738073

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine (CID 75427713) is 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is CC(NCc1cnn(C)c1)c1ccc(OCc2nccn2C)cc1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is AZBLZNKFGBTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14(20-10-15-11-21-23(3)12-15)16-4-6-17(7-5-16)24-13-18-19-8-9-22(18)2/h4-9,11-12,14,20H,10,13H2,1-3H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine?
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 325.42 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-N-[(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 75427713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).