N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline

C16H23N3O — CID 24947518

IUPACN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cccc(N(Cc2cnc[nH]2)C(C)C)c1
InChIInChI=1S/C16H23N3O/c1-12(2)19(10-14-9-17-11-18-14)15-6-5-7-16(8-15)20-13(3)4/h5-9,11-13H,10H2,1-4H3,(H,17,18)
InChIKeyLGRYUHRNNHEDNK-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline

N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline (PubChem CID 24947518) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline
PubChem CID24947518
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline
SMILESCC(C)Oc1cccc(N(Cc2cnc[nH]2)C(C)C)c1
InChIInChI=1S/C16H23N3O/c1-12(2)19(10-14-9-17-11-18-14)15-6-5-7-16(8-15)20-13(3)4/h5-9,11-13H,10H2,1-4H3,(H,17,18)
InChIKeyLGRYUHRNNHEDNK-UHFFFAOYSA-N
XLogP3.61
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline (CID 24947518) is N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline is CC(C)Oc1cccc(N(Cc2cnc[nH]2)C(C)C)c1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline?
The InChIKey is LGRYUHRNNHEDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)19(10-14-9-17-11-18-14)15-6-5-7-16(8-15)20-13(3)4/h5-9,11-13H,10H2,1-4H3,(H,17,18).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline?
N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline has a molecular weight of 273.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-propan-2-yl-3-propan-2-yloxyaniline is sourced from PubChem (CID 24947518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).