N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C15H18N6 — CID 86854994

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N6/c1-13(9-21-12-17-10-19-21)18-8-14-2-4-15(5-3-14)20-7-6-16-11-20/h2-7,10-13,18H,8-9H2,1H3
InChIKeyBKMIEKDMYYAYLB-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.64
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 86854994) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID86854994
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C15H18N6/c1-13(9-21-12-17-10-19-21)18-8-14-2-4-15(5-3-14)20-7-6-16-11-20/h2-7,10-13,18H,8-9H2,1H3
InChIKeyBKMIEKDMYYAYLB-UHFFFAOYSA-N
XLogP1.64
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
N-(pyridin-4-ylmethyl)-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 115595990
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
CID 43775713
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
(2S)-1-pyrazol-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]propan-2-amine
CID 95273102
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008
(2S)-N-[(4-bromo-3-methylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 95902252
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 86854994) is N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CC(Cn1cncn1)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is BKMIEKDMYYAYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-13(9-21-12-17-10-19-21)18-8-14-2-4-15(5-3-14)20-7-6-16-11-20/h2-7,10-13,18H,8-9H2,1H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 282.35 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 86854994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).