N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine

C16H23N3 — CID 43775713

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3/c1-13(2)10-14(3)18-11-15-4-6-16(7-5-15)19-9-8-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3
InChIKeyWEFZOQWLXVFCNM-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.40
Rot. Bonds6

About N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine

N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine (PubChem CID 43775713) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
PubChem CID43775713
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H23N3/c1-13(2)10-14(3)18-11-15-4-6-16(7-5-15)19-9-8-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3
InChIKeyWEFZOQWLXVFCNM-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazol-1-yl-N-[(4-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 43435620
N-[(4-imidazol-1-ylphenyl)methyl]hexan-2-amine
CID 62200953
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640008
N-[(4-imidazol-1-ylphenyl)methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
CID 86854994
N-[(4-imidazol-1-ylphenyl)methyl]-3-methylbutan-1-amine
CID 43220439
N-[(4-imidazol-1-ylphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222075
5-[(4-imidazol-1-ylphenyl)methylamino]pentan-2-ol
CID 107267783
N-[(4-imidazol-1-ylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769112
1-(5-chlorothiophen-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]ethanamine
CID 43432658
1-N-[(4-imidazol-1-ylphenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913038
(1R)-1-(4-imidazol-1-ylphenyl)-N-[[4-[(S)-methylsulfinyl]phenyl]methyl]ethanamine
CID 95973395
N-[(4-imidazol-1-ylphenyl)methyl]propan-1-amine
CID 43213832

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine (CID 43775713) is N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine is CC(C)CC(C)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine?
The InChIKey is WEFZOQWLXVFCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-13(2)10-14(3)18-11-15-4-6-16(7-5-15)19-9-8-17-12-19/h4-9,12-14,18H,10-11H2,1-3H3.
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine?
N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 43775713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).