N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C18H23N5 — CID 78860403

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23N5/c1-14-18(15(2)22(3)21-14)8-9-19-12-16-4-6-17(7-5-16)23-11-10-20-13-23/h4-7,10-11,13,19H,8-9,12H2,1-3H3
InChIKeyKGMYNKMOFIZLIH-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.55
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine

N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 78860403) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID78860403
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1CCNCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H23N5/c1-14-18(15(2)22(3)21-14)8-9-19-12-16-4-6-17(7-5-16)23-11-10-20-13-23/h4-7,10-11,13,19H,8-9,12H2,1-3H3
InChIKeyKGMYNKMOFIZLIH-UHFFFAOYSA-N
XLogP2.55
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832
(1R)-1-(4-imidazol-1-ylphenyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 9113138
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-2-methoxyethanamine
CID 43220295
N-[(4-imidazol-1-ylphenyl)methyl]octan-1-amine
CID 78911236
1-[(4-imidazol-1-ylphenyl)methylamino]-4-methylpentan-3-ol
CID 111468204
N-[(4-imidazol-1-ylphenyl)methyl]-2-methylsulfinylethanamine
CID 115632439
3-[(4-imidazol-1-ylphenyl)methylamino]propanoic acid
CID 43466403
1-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 28670467
N-[(4-bromophenyl)methyl]-1-(4-imidazol-1-ylphenyl)methanamine
CID 60781344
N-[(4-imidazol-1-ylphenyl)methyl]-2-thiophen-2-ylethanamine
CID 43221446
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 78860403) is N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1CCNCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is KGMYNKMOFIZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-14-18(15(2)22(3)21-14)8-9-19-12-16-4-6-17(7-5-16)23-11-10-20-13-23/h4-7,10-11,13,19H,8-9,12H2,1-3H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 309.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 78860403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).