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

C21H23N3O2 — CID 75428099

IUPACN-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCc1ccc(C2OCCO2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16(18-6-8-20(9-7-18)24-11-10-22-15-24)23-14-17-2-4-19(5-3-17)21-25-12-13-26-21/h2-11,15-16,21,23H,12-14H2,1H3
InChIKeyONOZDOIVZYNMPV-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.77
Rot. Bonds6

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

N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine (PubChem CID 75428099) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
PubChem CID75428099
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCc1ccc(C2OCCO2)cc1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C21H23N3O2/c1-16(18-6-8-20(9-7-18)24-11-10-22-15-24)23-14-17-2-4-19(5-3-17)21-25-12-13-26-21/h2-11,15-16,21,23H,12-14H2,1H3
InChIKeyONOZDOIVZYNMPV-UHFFFAOYSA-N
XLogP3.77
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-imidazol-1-ylphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]ethanamine
CID 95973395
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769112
1-(4-imidazol-1-ylphenyl)-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115731986
N-[(5-bromothiophen-3-yl)methyl]-1-(4-imidazol-1-ylphenyl)ethanamine
CID 47030408
2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
1-(4-imidazol-1-ylphenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78919895
1-(4-imidazol-1-ylphenyl)-N-[(2,4,5-trimethylphenyl)methyl]ethanamine
CID 55378386
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
1-(4-imidazol-1-ylphenyl)-N-(2-methoxyethyl)ethanamine
CID 43200664
2,2-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]ethanamine
CID 113303609
1-(4-imidazol-1-ylphenyl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902853

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
The IUPAC name of N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine (CID 75428099) is N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine is CC(NCc1ccc(C2OCCO2)cc1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
The InChIKey is ONOZDOIVZYNMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-16(18-6-8-20(9-7-18)24-11-10-22-15-24)23-14-17-2-4-19(5-3-17)21-25-12-13-26-21/h2-11,15-16,21,23H,12-14H2,1H3.
What are the key properties of N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine?
N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine has a molecular weight of 349.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-dioxolan-2-yl)phenyl]methyl]-1-(4-imidazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 75428099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).