N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine

C17H21N5O — CID 136561404

IUPACN-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cn(C)nc1C(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C17H21N5O/c1-13(17-16(23-3)11-21(2)20-17)19-10-14-6-4-5-7-15(14)22-9-8-18-12-22/h4-9,11-13,19H,10H2,1-3H3
InChIKeyQZQZVUNJNJNTKI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.47
Rot. Bonds6

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

N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine (PubChem CID 136561404) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine
PubChem CID136561404
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cn(C)nc1C(C)NCc1ccccc1-n1ccnc1
InChIInChI=1S/C17H21N5O/c1-13(17-16(23-3)11-21(2)20-17)19-10-14-6-4-5-7-15(14)22-9-8-18-12-22/h4-9,11-13,19H,10H2,1-3H3
InChIKeyQZQZVUNJNJNTKI-UHFFFAOYSA-N
XLogP2.47
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-1-(2,3,4-trimethoxyphenyl)methanamine
CID 47629504
N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
2-(2,6-dimethoxyphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 136514293
N-[(5-chloro-2,3-dimethoxyphenyl)methyl]-1-(2-imidazol-1-ylphenyl)methanamine
CID 131919120
(1R)-N-[(2-imidazol-1-ylphenyl)methyl]-3-methyl-1-pyridin-2-ylbutan-1-amine
CID 97230542
4-methoxy-1-methyl-3-propan-2-ylpyrazole
CID 163957841
2-[(2-imidazol-1-ylphenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111074361
1-(4-fluoro-2-methoxyphenyl)-3-[(2-imidazol-1-ylphenyl)methyl]urea
CID 136578950
(2R)-2-(2-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 92685089
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
4-[5-[[(2-imidazol-1-ylphenyl)methylamino]methyl]-2-methoxyphenoxy]butanenitrile
CID 49248870
1-[(2-imidazol-1-ylphenyl)methyl]-3-(1-methoxypropan-2-yl)-2-methylguanidine;hydroiodide
CID 111237202

Frequently Asked Questions

What is the IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine (CID 136561404) is N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine is COc1cn(C)nc1C(C)NCc1ccccc1-n1ccnc1.
What is the InChIKey of N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine?
The InChIKey is QZQZVUNJNJNTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-13(17-16(23-3)11-21(2)20-17)19-10-14-6-4-5-7-15(14)22-9-8-18-12-22/h4-9,11-13,19H,10H2,1-3H3.
What are the key properties of N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine?
N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine has a molecular weight of 311.39 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-imidazol-1-ylphenyl)methyl]-1-(4-methoxy-1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 136561404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).